N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide

C16H17ClN2O — CID 51728766

IUPACN-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@H](C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H17ClN2O/c1-11-5-3-8-15(18-11)16(20)19-12(2)9-13-6-4-7-14(17)10-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyXVTDXJYZBYLOSP-GFCCVEGCSA-N
MW288.78 g/mol
LogP3.40
Rot. Bonds4

About N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide

N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide (PubChem CID 51728766) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
PubChem CID51728766
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@H](C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H17ClN2O/c1-11-5-3-8-15(18-11)16(20)19-12(2)9-13-6-4-7-14(17)10-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyXVTDXJYZBYLOSP-GFCCVEGCSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 51950219
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466
4-chloro-N-[1-(3-chlorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 81227390
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
4-(bromomethyl)-N-[1-(3-chlorophenyl)propan-2-yl]benzamide
CID 102851122
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
6-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 63010622
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
(E)-4-[1-(3-chlorophenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54867885
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide (CID 51728766) is N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@H](C)Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is XVTDXJYZBYLOSP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-5-3-8-15(18-11)16(20)19-12(2)9-13-6-4-7-14(17)10-13/h3-8,10,12H,9H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide?
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 51728766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).