N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride

C18H17ClF3N5O4 — CID 167655843

IUPACN-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)CO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C18H16F3N5O4.ClH/c19-18(20,21)10-1-3-13(22-5-10)15-8-25-17(30-15)26-11-2-4-14(23-6-11)16(29)24-7-12(28)9-27;/h1-6,8,12,27-28H,7,9H2,(H,24,29)(H,25,26);1H
InChIKeyYHHGUTCMAJWMPW-UHFFFAOYSA-N
MW459.81 g/mol
LogP2.40
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride

N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride (PubChem CID 167655843) has the molecular formula C18H17ClF3N5O4 and a molecular weight of 459.81 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride
PubChem CID167655843
Molecular FormulaC18H17ClF3N5O4
Molecular Weight459.81 g/mol
Exact Mass459.09
IUPAC NameN-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)CO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C18H16F3N5O4.ClH/c19-18(20,21)10-1-3-13(22-5-10)15-8-25-17(30-15)26-11-2-4-14(23-6-11)16(29)24-7-12(28)9-27;/h1-6,8,12,27-28H,7,9H2,(H,24,29)(H,25,26);1H
InChIKeyYHHGUTCMAJWMPW-UHFFFAOYSA-N
XLogP2.40
TPSA133.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.81
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride (CID 167655843) is N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride is Cl.O=C(NCC(O)CO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride?
The InChIKey is YHHGUTCMAJWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O4.ClH/c19-18(20,21)10-1-3-13(22-5-10)15-8-25-17(30-15)26-11-2-4-14(23-6-11)16(29)24-7-12(28)9-27;/h1-6,8,12,27-28H,7,9H2,(H,24,29)(H,25,26);1H.
What are the key properties of N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride?
N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride has a molecular weight of 459.81 g/mol, XLogP of 2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 167655843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).