N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide

C17H16ClFN2O2 — CID 134003236

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C17H16ClFN2O2/c1-23-16-12(4-3-9-20-16)17(22)21(11-7-8-11)10-13-14(18)5-2-6-15(13)19/h2-6,9,11H,7-8,10H2,1H3
InChIKeyLXLBDUFHDLIAMP-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide (PubChem CID 134003236) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
PubChem CID134003236
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C17H16ClFN2O2/c1-23-16-12(4-3-9-20-16)17(22)21(11-7-8-11)10-13-14(18)5-2-6-15(13)19/h2-6,9,11H,7-8,10H2,1H3
InChIKeyLXLBDUFHDLIAMP-UHFFFAOYSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 51116678
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90554677
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea
CID 121499125
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
CID 112722748
4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]amino]-N,N-dimethylbutanamide
CID 122568629
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46536550

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide (CID 134003236) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide?
The InChIKey is LXLBDUFHDLIAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-23-16-12(4-3-9-20-16)17(22)21(11-7-8-11)10-13-14(18)5-2-6-15(13)19/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 134003236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).