3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide

C29H28N6O — CID 176665227

IUPAC3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
SMILESC[C@@H]1C[C@H](C)CN(c2cccc(-c3ccc4cnc(CNC(=O)c5cccc(C#N)c5)cc4n3)n2)C1
InChIInChI=1S/C29H28N6O/c1-19-11-20(2)18-35(17-19)28-8-4-7-25(34-28)26-10-9-23-15-31-24(13-27(23)33-26)16-32-29(36)22-6-3-5-21(12-22)14-30/h3-10,12-13,15,19-20H,11,16-18H2,1-2H3,(H,32,36)/t19-,20+
InChIKeyUEQWUAMWGFHKAI-BGYRXZFFSA-N
MW476.58 g/mol
LogP4.98
Rot. Bonds5

About 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide

3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide (PubChem CID 176665227) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
PubChem CID176665227
Molecular FormulaC29H28N6O
Molecular Weight476.58 g/mol
Exact Mass476.23
IUPAC Name3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
SMILESC[C@@H]1C[C@H](C)CN(c2cccc(-c3ccc4cnc(CNC(=O)c5cccc(C#N)c5)cc4n3)n2)C1
InChIInChI=1S/C29H28N6O/c1-19-11-20(2)18-35(17-19)28-8-4-7-25(34-28)26-10-9-23-15-31-24(13-27(23)33-26)16-32-29(36)22-6-3-5-21(12-22)14-30/h3-10,12-13,15,19-20H,11,16-18H2,1-2H3,(H,32,36)/t19-,20+
InChIKeyUEQWUAMWGFHKAI-BGYRXZFFSA-N
XLogP4.98
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-6-methyl-5-methylsulfanylpyridine-3-carboxamide
CID 176666909
N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methylpyridine-2-carboxamide
CID 176666740
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
CID 176665731
CID 176665731
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
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
3-(difluoromethoxy)-N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylbenzamide
CID 176665979
4-methyl-3-methylsulfonyl-N-[[2-[6-[(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665280
N-[[2-[6-[(3S,5R)-4-(2-hydroxyethyl)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 176665510

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide (CID 176665227) is 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide is C[C@@H]1C[C@H](C)CN(c2cccc(-c3ccc4cnc(CNC(=O)c5cccc(C#N)c5)cc4n3)n2)C1.
What is the InChIKey of 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
The InChIKey is UEQWUAMWGFHKAI-BGYRXZFFSA-N. The full InChI is InChI=1S/C29H28N6O/c1-19-11-20(2)18-35(17-19)28-8-4-7-25(34-28)26-10-9-23-15-31-24(13-27(23)33-26)16-32-29(36)22-6-3-5-21(12-22)14-30/h3-10,12-13,15,19-20H,11,16-18H2,1-2H3,(H,32,36)/t19-,20+.
What are the key properties of 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide?
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide has a molecular weight of 476.58 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide is sourced from PubChem (CID 176665227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).