N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide

C17H19FN4O2 — CID 155350650

IUPACN-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide
SMILESCC1(C)CCC1NC(=O)c1nc(Nc2ccnc(F)c2)ccc1O
InChIInChI=1S/C17H19FN4O2/c1-17(2)7-5-12(17)21-16(24)15-11(23)3-4-14(22-15)20-10-6-8-19-13(18)9-10/h3-4,6,8-9,12,23H,5,7H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyKCVBTCXSIVQBLH-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.98
Rot. Bonds4

About N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide

N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide (PubChem CID 155350650) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide
PubChem CID155350650
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide
SMILESCC1(C)CCC1NC(=O)c1nc(Nc2ccnc(F)c2)ccc1O
InChIInChI=1S/C17H19FN4O2/c1-17(2)7-5-12(17)21-16(24)15-11(23)3-4-14(22-15)20-10-6-8-19-13(18)9-10/h3-4,6,8-9,12,23H,5,7H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyKCVBTCXSIVQBLH-UHFFFAOYSA-N
XLogP2.98
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-3-methylpyrazine-2-carboxamide
CID 155352178
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
6-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-4-methoxy-3-methylpyridine-2-carboxamide
CID 162691550
5-(3,5-difluoroanilino)-N-(2,2-dimethylcyclobutyl)-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155341280
5-[(2,6-difluoro-4-pyridinyl)amino]-N-spiro[3.4]octan-3-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 164822687
6-[(2,6-difluoro-4-pyridinyl)amino]-3-methoxy-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 155341435
5-(3,5-difluoroanilino)-N-spiro[3.4]octan-3-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 155354732
N-(2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 130556518
4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
CID 79878094
[2-[cyano-(2,6-difluoro-4-pyridinyl)amino]-4-[(2,2-dimethylcyclobutyl)carbamoyl]-1,3-thiazol-5-yl]carbamic acid
CID 175191623
6-(3,5-difluoroanilino)-3-methoxy-N-(4-oxaspiro[2.4]heptan-6-yl)pyridine-2-carboxamide
CID 155350378
3-[(2-fluoro-4-pyridinyl)amino]-1-[4-[(2-hydroxyphenyl)methylamino]-1-methylcyclohexyl]pyrazole-4-carboxamide
CID 89473482

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide (CID 155350650) is N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide is CC1(C)CCC1NC(=O)c1nc(Nc2ccnc(F)c2)ccc1O.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide?
The InChIKey is KCVBTCXSIVQBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-17(2)7-5-12(17)21-16(24)15-11(23)3-4-14(22-15)20-10-6-8-19-13(18)9-10/h3-4,6,8-9,12,23H,5,7H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide?
N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-6-[(2-fluoro-4-pyridinyl)amino]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 155350650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).