2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

C21H32N2O3 — CID 11646207

IUPAC2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCCc1ccnc(NC(=O)C2(CC(CCC)C(=O)O)CCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-3-5-9-16-10-13-22-18(14-16)23-20(26)21(11-6-7-12-21)15-17(8-4-2)19(24)25/h10,13-14,17H,3-9,11-12,15H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyZRGPBCADUOKTDJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.81
Rot. Bonds10

About 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11646207) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11646207
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCCc1ccnc(NC(=O)C2(CC(CCC)C(=O)O)CCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-3-5-9-16-10-13-22-18(14-16)23-20(26)21(11-6-7-12-21)15-17(8-4-2)19(24)25/h10,13-14,17H,3-9,11-12,15H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyZRGPBCADUOKTDJ-UHFFFAOYSA-N
XLogP4.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid with MolForge

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Related Compounds

Azd-9684
CID 87609775
(7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 9930471
(7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 10069974
2-{1-[2-(3-Isoquinolinylamino)-2-oxoethyl]cyclohexyl}acetic acid
CID 2738327
4-(3-Methylpyridin-2-ylcarbamoyl)butyric acid
CID 572788
2-(1-{2-Oxo-2-[(4-pyridinylmethyl)amino]ethyl}cyclohexyl)acetic acid
CID 2738272
2-(Pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 350697
1-Phenyl-N-2-pyridinylcyclopentanecarboxamide
CID 796266
2-[[1-[(4-Butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
CID 10110086
3-Biphenyl-4-yl-4-{N''-[5-(4-methyl-pyridin-2-ylamino)-pentanoyl]-hydrazinocarbonyl}-butyric acid
CID 10767331
(7-{[3-(Pyridin-2-ylamino)-propionylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 22594351
2-((1-((4-Benzylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11661185

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11646207) is 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCCc1ccnc(NC(=O)C2(CC(CCC)C(=O)O)CCCC2)c1.
What is the InChIKey of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is ZRGPBCADUOKTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-5-9-16-10-13-22-18(14-16)23-20(26)21(11-6-7-12-21)15-17(8-4-2)19(24)25/h10,13-14,17H,3-9,11-12,15H2,1-2H3,(H,24,25)(H,22,23,26).
What are the key properties of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 360.50 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11646207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).