cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C19H20N2O3 — CID 120675656

IUPACcis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(-c2cncc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)c1
InChIInChI=1S/C19H20N2O3/c1-12-3-2-4-13(7-12)15-8-16(11-20-10-15)18(22)21-17-6-5-14(9-17)19(23)24/h2-4,7-8,10-11,14,17H,5-6,9H2,1H3,(H,21,22)(H,23,24)/t14-,17+/m0/s1
InChIKeyJEQVRISJDBTXJP-WMLDXEAASA-N
MW324.38 g/mol
LogP3.04
Rot. Bonds4

About cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675656) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675656
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namecis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cccc(-c2cncc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)c1
InChIInChI=1S/C19H20N2O3/c1-12-3-2-4-13(7-12)15-8-16(11-20-10-15)18(22)21-17-6-5-14(9-17)19(23)24/h2-4,7-8,10-11,14,17H,5-6,9H2,1H3,(H,21,22)(H,23,24)/t14-,17+/m0/s1
InChIKeyJEQVRISJDBTXJP-WMLDXEAASA-N
XLogP3.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(3-fluorophenyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 154846839
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 154868807
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
CID 146154732
3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide
CID 166320542
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
2-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547588
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid
CID 120517497
N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
CID 136516074

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120675656) is cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1cccc(-c2cncc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)c1.
What is the InChIKey of cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JEQVRISJDBTXJP-WMLDXEAASA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-3-2-4-13(7-12)15-8-16(11-20-10-15)18(22)21-17-6-5-14(9-17)19(23)24/h2-4,7-8,10-11,14,17H,5-6,9H2,1H3,(H,21,22)(H,23,24)/t14-,17+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).