N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide

C16H14F2N2O — CID 99795295

IUPACN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C16H14F2N2O/c17-14-4-1-5-15(18)13(14)10-20(12-6-7-12)16(21)11-3-2-8-19-9-11/h1-5,8-9,12H,6-7,10H2
InChIKeyRDZMRCYEWSAUGL-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.16
Rot. Bonds4

About N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide

N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 99795295) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID99795295
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C16H14F2N2O/c17-14-4-1-5-15(18)13(14)10-20(12-6-7-12)16(21)11-3-2-8-19-9-11/h1-5,8-9,12H,6-7,10H2
InChIKeyRDZMRCYEWSAUGL-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
CID 154454654
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]furan-3-carboxamide
CID 86819576
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-(2-oxoethyl)pyridine-3-carboxamide
CID 144743698
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
4-amino-N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 62680434
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea
CID 121499125
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
CID 46632706
N-(4-tert-butylcyclohexyl)-N-[(6-chloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 87720740
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide (CID 99795295) is N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide is O=C(c1cccnc1)N(Cc1c(F)cccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is RDZMRCYEWSAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-14-4-1-5-15(18)13(14)10-20(12-6-7-12)16(21)11-3-2-8-19-9-11/h1-5,8-9,12H,6-7,10H2.
What are the key properties of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide?
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 99795295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).