N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide

C15H21ClN2O — CID 103969592

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-12-6-5-9-17-13(12)14(19)18-11-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyBZMPSZVQAQBXSV-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.31
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 103969592) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID103969592
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-12-6-5-9-17-13(12)14(19)18-11-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyBZMPSZVQAQBXSV-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.31
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-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
CID 107301519
N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 114170454
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-methylthiophene-2-carboxamide
CID 115364037

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide (CID 103969592) is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is BZMPSZVQAQBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12-6-5-9-17-13(12)14(19)18-11-15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 103969592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).