6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide

C17H16ClF2N5O — CID 165129853

IUPAC6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(Cl)n2)cc(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C17H16ClF2N5O/c1-10-21-13(24-15(26)11-3-2-4-12(18)23-11)7-14(22-10)25-6-5-16(9-25)8-17(16,19)20/h2-4,7H,5-6,8-9H2,1H3,(H,21,22,24,26)
InChIKeyPSMLXZPGCHLKEK-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.32
Rot. Bonds3

About 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide

6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide (PubChem CID 165129853) has the molecular formula C17H16ClF2N5O and a molecular weight of 379.80 g/mol. Its IUPAC name is 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide
PubChem CID165129853
Molecular FormulaC17H16ClF2N5O
Molecular Weight379.80 g/mol
Exact Mass379.10
IUPAC Name6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(Cl)n2)cc(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C17H16ClF2N5O/c1-10-21-13(24-15(26)11-3-2-4-12(18)23-11)7-14(22-10)25-6-5-16(9-25)8-17(16,19)20/h2-4,7H,5-6,8-9H2,1H3,(H,21,22,24,26)
InChIKeyPSMLXZPGCHLKEK-UHFFFAOYSA-N
XLogP3.32
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362813
tert-butyl 2-(6-chloro-2-methylpyrimidin-4-yl)-5,5-difluoro-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 166713384
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
6-chloro-N-(3-cyanothiolan-3-yl)pyridine-2-carboxamide
CID 62234577
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362878
N-[6-[(3R)-3-(2-fluoropropan-2-yl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 165129793
6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115599468
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
N-(2,6-difluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363612
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 71996644
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide (CID 165129853) is 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide is Cc1nc(NC(=O)c2cccc(Cl)n2)cc(N2CCC3(C2)CC3(F)F)n1.
What is the InChIKey of 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide?
The InChIKey is PSMLXZPGCHLKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N5O/c1-10-21-13(24-15(26)11-3-2-4-12(18)23-11)7-14(22-10)25-6-5-16(9-25)8-17(16,19)20/h2-4,7H,5-6,8-9H2,1H3,(H,21,22,24,26).
What are the key properties of 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide?
6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-methylpyrimidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165129853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).