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

C30H31N9O — CID 176665846

IUPACN-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methyl-5-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCc2cc3nc(-c4cccc(N5C[C@H](C)C[C@H](C)C5)n4)ccc3cn2)cc(-n2cnnn2)c1
InChIInChI=1S/C30H31N9O/c1-19-10-23(12-25(11-19)39-18-33-36-37-39)30(40)32-15-24-13-28-22(14-31-24)7-8-27(34-28)26-5-4-6-29(35-26)38-16-20(2)9-21(3)17-38/h4-8,10-14,18,20-21H,9,15-17H2,1-3H3,(H,32,40)/t20-,21+
InChIKeyKVXQWAVODRYJGD-OYRHEFFESA-N
MW533.64 g/mol
LogP4.39
Rot. Bonds6

About 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

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 (PubChem CID 176665846) has the molecular formula C30H31N9O and a molecular weight of 533.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methyl-5-(tetrazol-1-yl)benzamide
PubChem CID176665846
Molecular FormulaC30H31N9O
Molecular Weight533.64 g/mol
Exact Mass533.27
IUPAC NameN-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methyl-5-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NCc2cc3nc(-c4cccc(N5C[C@H](C)C[C@H](C)C5)n4)ccc3cn2)cc(-n2cnnn2)c1
InChIInChI=1S/C30H31N9O/c1-19-10-23(12-25(11-19)39-18-33-36-37-39)30(40)32-15-24-13-28-22(14-31-24)7-8-27(34-28)26-5-4-6-29(35-26)38-16-20(2)9-21(3)17-38/h4-8,10-14,18,20-21H,9,15-17H2,1-3H3,(H,32,40)/t20-,21+
InChIKeyKVXQWAVODRYJGD-OYRHEFFESA-N
XLogP4.39
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

N-[[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-methylpyridine-2-carboxamide
CID 176666740
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
3-cyano-N-[[2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]benzamide
CID 176665227
[2-[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
CID 176665269
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
CID 176665731
CID 176665731
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfanylbenzamide
CID 176665353
N-[[2-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-4-(1-hydroxyethyl)-5-methylpyridine-2-carboxamide
CID 176666774
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-(3,5-dimethylpiperidin-1-yl)-4-fluoro-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboxamide
CID 176666719
N-[[2-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-ethyl-2-fluoro-4-methylbenzamide
CID 176665250

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)NCc2cc3nc(-c4cccc(N5C[C@H](C)C[C@H](C)C5)n4)ccc3cn2)cc(-n2cnnn2)c1.
What is the InChIKey of 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?
The InChIKey is KVXQWAVODRYJGD-OYRHEFFESA-N. The full InChI is InChI=1S/C30H31N9O/c1-19-10-23(12-25(11-19)39-18-33-36-37-39)30(40)32-15-24-13-28-22(14-31-24)7-8-27(34-28)26-5-4-6-29(35-26)38-16-20(2)9-21(3)17-38/h4-8,10-14,18,20-21H,9,15-17H2,1-3H3,(H,32,40)/t20-,21+.
What are the key properties of 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?
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 has a molecular weight of 533.64 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176665846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).