4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide

C12H15ClN2O — CID 81233422

IUPAC4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCC1CC1CN(C)C(=O)c1cnccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-8-5-9(8)7-15(2)12(16)10-6-14-4-3-11(10)13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyYQFPAYHWMGCKPR-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.46
Rot. Bonds3

About 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide

4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide (PubChem CID 81233422) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
PubChem CID81233422
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
SMILESCC1CC1CN(C)C(=O)c1cnccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-8-5-9(8)7-15(2)12(16)10-6-14-4-3-11(10)13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyYQFPAYHWMGCKPR-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81249131
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81241438
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 66484044
N-[(3-bromocyclobutyl)methyl]-3-chloro-N-methylpyridine-4-carboxamide
CID 80673422
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 63865891
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491
4-hydroxy-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107671595

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide (CID 81233422) is 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide is CC1CC1CN(C)C(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
The InChIKey is YQFPAYHWMGCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-5-9(8)7-15(2)12(16)10-6-14-4-3-11(10)13/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide?
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81233422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).