5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide

C18H20ClN3O2 — CID 95141905

IUPAC5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-15-9-14(17(20)23)11-22-18(15)21-10-13-7-4-8-24-16(13)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,16H,4,7-8,10H2,(H2,20,23)(H,21,22)/t13-,16-/m1/s1
InChIKeyGYINQSDUOCOLBG-CZUORRHYSA-N
MW345.83 g/mol
LogP3.41
Rot. Bonds5

About 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide

5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide (PubChem CID 95141905) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
PubChem CID95141905
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-15-9-14(17(20)23)11-22-18(15)21-10-13-7-4-8-24-16(13)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,16H,4,7-8,10H2,(H2,20,23)(H,21,22)/t13-,16-/m1/s1
InChIKeyGYINQSDUOCOLBG-CZUORRHYSA-N
XLogP3.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-2-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carbonitrile
CID 129488556
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide
CID 47292812
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
CID 95770496
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
CID 133277831
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide
CID 119741497
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide (CID 95141905) is 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is GYINQSDUOCOLBG-CZUORRHYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-9-14(17(20)23)11-22-18(15)21-10-13-7-4-8-24-16(13)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,16H,4,7-8,10H2,(H2,20,23)(H,21,22)/t13-,16-/m1/s1.
What are the key properties of 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide?
5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 95141905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).