N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide

C24H31N5O3 — CID 149254025

IUPACN-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(NOCC1CCCC1)c1ccccc1NCc1ccnc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C24H31N5O3/c30-23(29-32-16-17-6-1-2-7-17)19-8-3-4-9-20(19)27-15-18-11-13-26-22(14-18)28-24(31)21-10-5-12-25-21/h3-4,8-9,11,13-14,17,21,25,27H,1-2,5-7,10,12,15-16H2,(H,29,30)(H,26,28,31)
InChIKeyZOBBJDUVUZHLDG-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.24
Rot. Bonds9

About N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide

N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 149254025) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID149254025
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(NOCC1CCCC1)c1ccccc1NCc1ccnc(NC(=O)C2CCCN2)c1
InChIInChI=1S/C24H31N5O3/c30-23(29-32-16-17-6-1-2-7-17)19-8-3-4-9-20(19)27-15-18-11-13-26-22(14-18)28-24(31)21-10-5-12-25-21/h3-4,8-9,11,13-14,17,21,25,27H,1-2,5-7,10,12,15-16H2,(H,29,30)(H,26,28,31)
InChIKeyZOBBJDUVUZHLDG-UHFFFAOYSA-N
XLogP3.24
TPSA104.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethoxy)-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 44553345
N-(cyclopentylmethoxy)-2-[[2-(methylcarbamothioylamino)-4-pyridinyl]methylamino]benzamide
CID 44553843
2-[(6-amino-3-pyridinyl)methylamino]-N-(cyclopentylmethoxy)benzamide
CID 87282068
methyl 5-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-fluorobenzoate
CID 58989927
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
ethyl 2-[[4-[[2-[cyclopentyl(methoxy)carbamoyl]anilino]methyl]-2-pyridinyl]carbamoylamino]acetate
CID 87281983
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18071622
N-(2-phenyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 119877635

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 149254025) is N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide is O=C(NOCC1CCCC1)c1ccccc1NCc1ccnc(NC(=O)C2CCCN2)c1.
What is the InChIKey of N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is ZOBBJDUVUZHLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c30-23(29-32-16-17-6-1-2-7-17)19-8-3-4-9-20(19)27-15-18-11-13-26-22(14-18)28-24(31)21-10-5-12-25-21/h3-4,8-9,11,13-14,17,21,25,27H,1-2,5-7,10,12,15-16H2,(H,29,30)(H,26,28,31).
What are the key properties of N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide?
N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.24, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 149254025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).