N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide

C16H19F2N5O — CID 138001615

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCc1nccn1-c1ccnc(C(=O)NCC2CCNCC2(F)F)c1
InChIInChI=1S/C16H19F2N5O/c1-11-20-6-7-23(11)13-3-5-21-14(8-13)15(24)22-9-12-2-4-19-10-16(12,17)18/h3,5-8,12,19H,2,4,9-10H2,1H3,(H,22,24)
InChIKeyNSKZEOZLRIZKDB-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.55
Rot. Bonds4

About N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide

N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide (PubChem CID 138001615) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide
PubChem CID138001615
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCc1nccn1-c1ccnc(C(=O)NCC2CCNCC2(F)F)c1
InChIInChI=1S/C16H19F2N5O/c1-11-20-6-7-23(11)13-3-5-21-14(8-13)15(24)22-9-12-2-4-19-10-16(12,17)18/h3,5-8,12,19H,2,4,9-10H2,1H3,(H,22,24)
InChIKeyNSKZEOZLRIZKDB-UHFFFAOYSA-N
XLogP1.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Nilotinib
CID 644241
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299
6-cyclopropyl-N-[3,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548325
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563111
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-difluoro-pyrrolidine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760567
6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide
CID 54760571

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide (CID 138001615) is N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide is Cc1nccn1-c1ccnc(C(=O)NCC2CCNCC2(F)F)c1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide?
The InChIKey is NSKZEOZLRIZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-11-20-6-7-23(11)13-3-5-21-14(8-13)15(24)22-9-12-2-4-19-10-16(12,17)18/h3,5-8,12,19H,2,4,9-10H2,1H3,(H,22,24).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide?
N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]-4-(2-methylimidazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138001615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).