N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide

C29H32N6OS — CID 176666909

IUPACN-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
SMILESCSc1cc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)CC(C)C5)n4)ccc3cn2)cnc1C
InChIInChI=1S/C29H32N6OS/c1-18-10-19(2)17-35(16-18)28-7-5-6-24(34-28)25-9-8-21-13-31-23(12-26(21)33-25)15-32-29(36)22-11-27(37-4)20(3)30-14-22/h5-9,11-14,18-19H,10,15-17H2,1-4H3,(H,32,36)
InChIKeyJTVJRWFKFOBIPO-UHFFFAOYSA-N
MW512.68 g/mol
LogP5.53
Rot. Bonds6

About N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide

N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide (PubChem CID 176666909) has the molecular formula C29H32N6OS and a molecular weight of 512.68 g/mol. Its IUPAC name is N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
PubChem CID176666909
Molecular FormulaC29H32N6OS
Molecular Weight512.68 g/mol
Exact Mass512.24
IUPAC NameN-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
SMILESCSc1cc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)CC(C)C5)n4)ccc3cn2)cnc1C
InChIInChI=1S/C29H32N6OS/c1-18-10-19(2)17-35(16-18)28-7-5-6-24(34-28)25-9-8-21-13-31-23(12-26(21)33-25)15-32-29(36)22-11-27(37-4)20(3)30-14-22/h5-9,11-14,18-19H,10,15-17H2,1-4H3,(H,32,36)
InChIKeyJTVJRWFKFOBIPO-UHFFFAOYSA-N
XLogP5.53
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.68
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665711
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide
CID 176666719
CID 176665731
CID 176665731
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methylpyridine-2-carboxamide
CID 176666740
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665227
N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methyl-5-(tetrazol-1-yl)benzamide
CID 176665846
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
CID 176665269
3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665979
N-[[2-[6-(4,7-diazaspiro[2.5]octan-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 176665359
N-[[2-[6-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-[(S)-methylsulfinyl]benzamide
CID 176665609
3-chloro-N-[[2-[6-(2-methylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665236

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide (CID 176666909) is N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide is CSc1cc(C(=O)NCc2cc3nc(-c4cccc(N5CC(C)CC(C)C5)n4)ccc3cn2)cnc1C.
What is the InChIKey of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide?
The InChIKey is JTVJRWFKFOBIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6OS/c1-18-10-19(2)17-35(16-18)28-7-5-6-24(34-28)25-9-8-21-13-31-23(12-26(21)33-25)15-32-29(36)22-11-27(37-4)20(3)30-14-22/h5-9,11-14,18-19H,10,15-17H2,1-4H3,(H,32,36).
What are the key properties of N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide?
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide has a molecular weight of 512.68 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 176666909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).