(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide

C17H19ClN2O2 — CID 9210800

IUPAC(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cn1
InChIInChI=1S/C17H19ClN2O2/c1-11(2)16(12-4-6-13(18)7-5-12)17(21)20-14-8-9-15(22-3)19-10-14/h4-11,16H,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyIAZSPPBSYQNXPM-INIZCTEOSA-N
MW318.80 g/mol
LogP4.12
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide

(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide (PubChem CID 9210800) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
PubChem CID9210800
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cn1
InChIInChI=1S/C17H19ClN2O2/c1-11(2)16(12-4-6-13(18)7-5-12)17(21)20-14-8-9-15(22-3)19-10-14/h4-11,16H,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyIAZSPPBSYQNXPM-INIZCTEOSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7613187
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
2-amino-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)acetamide
CID 106151757
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
2-(4-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937350
(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
CID 97266547
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
2,3-dichloro-N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 55740603

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide (CID 9210800) is (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide is COc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cn1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
The InChIKey is IAZSPPBSYQNXPM-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11(2)16(12-4-6-13(18)7-5-12)17(21)20-14-8-9-15(22-3)19-10-14/h4-11,16H,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide has a molecular weight of 318.80 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 9210800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).