5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide

C12H16ClN3O — CID 114045919

IUPAC5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
SMILESNc1cnc(Cl)c(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H16ClN3O/c13-11-10(5-9(14)7-15-11)12(17)16-6-8-3-1-2-4-8/h5,7-8H,1-4,6,14H2,(H,16,17)
InChIKeyXFVMEKWRKMIRPK-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.24
Rot. Bonds3

About 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide

5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide (PubChem CID 114045919) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
PubChem CID114045919
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
SMILESNc1cnc(Cl)c(C(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H16ClN3O/c13-11-10(5-9(14)7-15-11)12(17)16-6-8-3-1-2-4-8/h5,7-8H,1-4,6,14H2,(H,16,17)
InChIKeyXFVMEKWRKMIRPK-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114045997
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
6-amino-5-chloro-N-(cyclobutylmethyl)pyridine-3-carboxamide
CID 62155457
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
CID 114046104
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
CID 114045972
2-chloro-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 114034209
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
methyl 4-[[(2-chloro-5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 163586952
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide (CID 114045919) is 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide is Nc1cnc(Cl)c(C(=O)NCC2CCCC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide?
The InChIKey is XFVMEKWRKMIRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-10(5-9(14)7-15-11)12(17)16-6-8-3-1-2-4-8/h5,7-8H,1-4,6,14H2,(H,16,17).
What are the key properties of 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide?
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114045919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).