N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide

C14H19ClN2O — CID 113294750

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2(CCl)CCCC2)c1
InChIInChI=1S/C14H19ClN2O/c1-11-6-12(8-16-7-11)13(18)17-10-14(9-15)4-2-3-5-14/h6-8H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyXIAWCQYTMJCCSS-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.92
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide (PubChem CID 113294750) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
PubChem CID113294750
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2(CCl)CCCC2)c1
InChIInChI=1S/C14H19ClN2O/c1-11-6-12(8-16-7-11)13(18)17-10-14(9-15)4-2-3-5-14/h6-8H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyXIAWCQYTMJCCSS-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
N-[(3-hydroxythiolan-3-yl)methyl]-5-methylpyridine-3-carboxamide
CID 111596832
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
4-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 113397023
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-hydroxy-5-methylbenzamide
CID 113294792

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide (CID 113294750) is N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC2(CCl)CCCC2)c1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide?
The InChIKey is XIAWCQYTMJCCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-11-6-12(8-16-7-11)13(18)17-10-14(9-15)4-2-3-5-14/h6-8H,2-5,9-10H2,1H3,(H,17,18).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 113294750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).