5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride

C51H45Cl4N15O9 — CID 167710021

IUPAC5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
SMILESCC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(Cl)cn4)o3)cn2)O1.Cl.N#Cc1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.O=C(NCC(O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C20H20ClN5O4.C17H16ClN5O4.C14H8ClN5O.ClH/c1-20(2)28-11-14(30-20)9-24-18(27)16-6-4-13(8-23-16)26-19-25-10-17(29-19)15-5-3-12(21)7-22-15;18-10-1-3-13(19-5-10)15-8-22-17(27-15)23-11-2-4-14(20-6-11)16(26)21-7-12(25)9-24;15-9-1-4-12(18-6-9)13-8-19-14(21-13)20-11-3-2-10(5-16)17-7-11;/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)(H,25,26);1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23);1-4,6-8H,(H,19,20);1H
InChIKeyHGPSQLATISOBML-UHFFFAOYSA-N
MW1153.83 g/mol
LogP8.84
Rot. Bonds16

About 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride

5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride (PubChem CID 167710021) has the molecular formula C51H45Cl4N15O9 and a molecular weight of 1153.83 g/mol. Its IUPAC name is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
PubChem CID167710021
Molecular FormulaC51H45Cl4N15O9
Molecular Weight1153.83 g/mol
Exact Mass1151.23
IUPAC Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
SMILESCC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(Cl)cn4)o3)cn2)O1.Cl.N#Cc1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.O=C(NCC(O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C20H20ClN5O4.C17H16ClN5O4.C14H8ClN5O.ClH/c1-20(2)28-11-14(30-20)9-24-18(27)16-6-4-13(8-23-16)26-19-25-10-17(29-19)15-5-3-12(21)7-22-15;18-10-1-3-13(19-5-10)15-8-22-17(27-15)23-11-2-4-14(20-6-11)16(26)21-7-12(25)9-24;15-9-1-4-12(18-6-9)13-8-19-14(21-13)20-11-3-2-10(5-16)17-7-11;/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)(H,25,26);1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23);1-4,6-8H,(H,19,20);1H
InChIKeyHGPSQLATISOBML-UHFFFAOYSA-N
XLogP8.84
TPSA332.43 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms79
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001153.83
LogP ≤ 58.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride (CID 167710021) is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride is CC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(Cl)cn4)o3)cn2)O1.Cl.N#Cc1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.O=C(NCC(O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1.
What is the InChIKey of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride?
The InChIKey is HGPSQLATISOBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4.C17H16ClN5O4.C14H8ClN5O.ClH/c1-20(2)28-11-14(30-20)9-24-18(27)16-6-4-13(8-23-16)26-19-25-10-17(29-19)15-5-3-12(21)7-22-15;18-10-1-3-13(19-5-10)15-8-22-17(27-15)23-11-2-4-14(20-6-11)16(26)21-7-12(25)9-24;15-9-1-4-12(18-6-9)13-8-19-14(21-13)20-11-3-2-10(5-16)17-7-11;/h3-8,10,14H,9,11H2,1-2H3,(H,24,27)(H,25,26);1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23);1-4,6-8H,(H,19,20);1H.
What are the key properties of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride?
5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride has a molecular weight of 1153.83 g/mol, XLogP of 8.84, 16 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide;5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 167710021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).