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

C17H17Cl2N5O4 — CID 175733549

IUPAC5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C17H16ClN5O4.ClH/c18-10-1-3-13(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;/h1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23);1H/t12-;/m1./s1
InChIKeySREOANHHVIIZHA-UTONKHPSSA-N
MW426.26 g/mol
LogP2.03
Rot. Bonds7

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

5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 175733549) has the molecular formula C17H17Cl2N5O4 and a molecular weight of 426.26 g/mol. Its IUPAC name is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride
PubChem CID175733549
Molecular FormulaC17H17Cl2N5O4
Molecular Weight426.26 g/mol
Exact Mass425.07
IUPAC Name5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC[C@@H](O)CO)c1ccc(Nc2ncc(-c3ccc(Cl)cn3)o2)cn1
InChIInChI=1S/C17H16ClN5O4.ClH/c18-10-1-3-13(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;/h1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23);1H/t12-;/m1./s1
InChIKeySREOANHHVIIZHA-UTONKHPSSA-N
XLogP2.03
TPSA133.40 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride (CID 175733549) is 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride is Cl.O=C(NC[C@@H](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-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is SREOANHHVIIZHA-UTONKHPSSA-N. The full InChI is InChI=1S/C17H16ClN5O4.ClH/c18-10-1-3-13(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;/h1-6,8,12,24-25H,7,9H2,(H,21,26)(H,22,23);1H/t12-;/m1./s1.
What are the key properties of 5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride?
5-[[5-(5-chloro-2-pyridinyl)-1,3-oxazol-2-yl]amino]-N-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 426.26 g/mol, XLogP of 2.03, 7 rotatable bonds, 4 hydrogen bond donors, and 8 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-[(2R)-2,3-dihydroxypropyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 175733549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).