6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide

C24H31N7O — CID 166549979

IUPAC6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
SMILESCNC(=O)c1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)(C)C4)n3)ncc12
InChIInChI=1S/C24H31N7O/c1-15(2)17-12-28-21(22(32)25-5)18-13-27-20(11-16(17)18)29-19-7-9-26-23(30-19)31-10-6-8-24(3,4)14-31/h7,9,11-13,15H,6,8,10,14H2,1-5H3,(H,25,32)(H,26,27,29,30)
InChIKeyIKRXGQAFURRGSC-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.27
Rot. Bonds5

About 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide

6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (PubChem CID 166549979) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
PubChem CID166549979
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
SMILESCNC(=O)c1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)(C)C4)n3)ncc12
InChIInChI=1S/C24H31N7O/c1-15(2)17-12-28-21(22(32)25-5)18-13-27-20(11-16(17)18)29-19-7-9-26-23(30-19)31-10-6-8-24(3,4)14-31/h7,9,11-13,15H,6,8,10,14H2,1-5H3,(H,25,32)(H,26,27,29,30)
InChIKeyIKRXGQAFURRGSC-UHFFFAOYSA-N
XLogP4.27
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549849
N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166550039
N-(2-methoxyethyl)-6-[[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549981
CID 166549936
CID 166549936
1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-4-methylpiperidin-4-ol
CID 167276876
1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3,3-dimethylpiperidin-4-ol
CID 166547192
(8R)-5-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-5-azaspiro[2.5]octan-8-ol
CID 166546780
CID 166549840
CID 166549840
3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 175575140
(4R)-3,3-difluoro-4-methyl-1-[4-[[8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 156550663
N-[2-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-8-[3-(ethylsulfanylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-amine
CID 156802306
1-[6-[[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]azetidin-3-ol
CID 167277205

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
The IUPAC name of 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide (CID 166549979) is 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide is CNC(=O)c1ncc(C(C)C)c2cc(Nc3ccnc(N4CCCC(C)(C)C4)n3)ncc12.
What is the InChIKey of 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
The InChIKey is IKRXGQAFURRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-15(2)17-12-28-21(22(32)25-5)18-13-27-20(11-16(17)18)29-19-7-9-26-23(30-19)31-10-6-8-24(3,4)14-31/h7,9,11-13,15H,6,8,10,14H2,1-5H3,(H,25,32)(H,26,27,29,30).
What are the key properties of 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide?
6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide is sourced from PubChem (CID 166549979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).