5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide

C19H22ClN3O3 — CID 129017569

IUPAC5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)N[C@H]3COCC[C@@H]3O)nc(C)c2Cl)cn1
InChIInChI=1S/C19H22ClN3O3/c1-11-3-4-13(9-21-11)7-14-8-15(22-12(2)18(14)20)19(25)23-16-10-26-6-5-17(16)24/h3-4,8-9,16-17,24H,5-7,10H2,1-2H3,(H,23,25)/t16-,17-/m0/s1
InChIKeyREWIABLJBUAJKZ-IRXDYDNUSA-N
MW375.86 g/mol
LogP2.22
Rot. Bonds4

About 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide

5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 129017569) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID129017569
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)N[C@H]3COCC[C@@H]3O)nc(C)c2Cl)cn1
InChIInChI=1S/C19H22ClN3O3/c1-11-3-4-13(9-21-11)7-14-8-15(22-12(2)18(14)20)19(25)23-16-10-26-6-5-17(16)24/h3-4,8-9,16-17,24H,5-7,10H2,1-2H3,(H,23,25)/t16-,17-/m0/s1
InChIKeyREWIABLJBUAJKZ-IRXDYDNUSA-N
XLogP2.22
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
CID 129017531
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
(E)-1-[5-chloro-4-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-2-pyridinyl]-3-[(4S)-4-hydroxyoxan-3-yl]prop-2-en-1-one
CID 139380848
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
8-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 142751744
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
5,8-difluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(6-methoxy-3-pyridinyl)methyl]quinoline-2-carboxamide
CID 53307815
7-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrrolo[3,2-b]pyridine-5-carboxamide
CID 134312620
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 91781332
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 161242138
(4S)-3-[[4-[(6-methyl-3-pyridinyl)methyl]-2-(sulfanylmethyl)naphthalen-1-yl]oxymethylamino]oxan-4-ol
CID 155275196
2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 137404581

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 129017569) is 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1ccc(Cc2cc(C(=O)N[C@H]3COCC[C@@H]3O)nc(C)c2Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is REWIABLJBUAJKZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-11-3-4-13(9-21-11)7-14-8-15(22-12(2)18(14)20)19(25)23-16-10-26-6-5-17(16)24/h3-4,8-9,16-17,24H,5-7,10H2,1-2H3,(H,23,25)/t16-,17-/m0/s1.
What are the key properties of 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide?
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129017569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).