2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid

C20H21N3O4 — CID 122055351

IUPAC2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C20H21N3O4/c24-18(14-5-1-2-6-14)23-16-7-3-4-13(10-16)12-22-19(25)17-11-15(20(26)27)8-9-21-17/h3-4,7-11,14H,1-2,5-6,12H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyKIRCZVLQPYJORW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.84
Rot. Bonds6

About 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid

2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055351) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
PubChem CID122055351
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1
InChIInChI=1S/C20H21N3O4/c24-18(14-5-1-2-6-14)23-16-7-3-4-13(10-16)12-22-19(25)17-11-15(20(26)27)8-9-21-17/h3-4,7-11,14H,1-2,5-6,12H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyKIRCZVLQPYJORW-UHFFFAOYSA-N
XLogP2.84
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
2-(2-aminoethyl)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624288
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60535609
2-(aminomethyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119710762
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55893796
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid (CID 122055351) is 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c1.
What is the InChIKey of 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid?
The InChIKey is KIRCZVLQPYJORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18(14-5-1-2-6-14)23-16-7-3-4-13(10-16)12-22-19(25)17-11-15(20(26)27)8-9-21-17/h3-4,7-11,14H,1-2,5-6,12H2,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid?
2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).