6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide

C24H28N4O2 — CID 66868403

IUPAC6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide
SMILESCCCCc1nc2c(c3c1CC(C)OC3)CN(C(=O)Nc1cccc(C#N)c1)CC2
InChIInChI=1S/C24H28N4O2/c1-3-4-8-22-19-11-16(2)30-15-21(19)20-14-28(10-9-23(20)27-22)24(29)26-18-7-5-6-17(12-18)13-25/h5-7,12,16H,3-4,8-11,14-15H2,1-2H3,(H,26,29)
InChIKeyPMHWGZSLQHQEOV-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.35
Rot. Bonds4

About 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide

6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide (PubChem CID 66868403) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide
PubChem CID66868403
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide
SMILESCCCCc1nc2c(c3c1CC(C)OC3)CN(C(=O)Nc1cccc(C#N)c1)CC2
InChIInChI=1S/C24H28N4O2/c1-3-4-8-22-19-11-16(2)30-15-21(19)20-14-28(10-9-23(20)27-22)24(29)26-18-7-5-6-17(12-18)13-25/h5-7,12,16H,3-4,8-11,14-15H2,1-2H3,(H,26,29)
InChIKeyPMHWGZSLQHQEOV-UHFFFAOYSA-N
XLogP4.35
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
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CID 11951881
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499166
(3R)-N-(3-cyanophenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95267695
4-(2,6-dimethylmorpholin-4-yl)-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786422
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
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CID 95783482
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CID 42786432
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CID 60969059
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
4-(2,6-dimethylmorpholin-4-yl)-N-(3-ethylphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786966
2-(6-cyano-3-pyridinyl)-N-(3-ethylphenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide (CID 66868403) is 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide is CCCCc1nc2c(c3c1CC(C)OC3)CN(C(=O)Nc1cccc(C#N)c1)CC2.
What is the InChIKey of 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide?
The InChIKey is PMHWGZSLQHQEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-4-8-22-19-11-16(2)30-15-21(19)20-14-28(10-9-23(20)27-22)24(29)26-18-7-5-6-17(12-18)13-25/h5-7,12,16H,3-4,8-11,14-15H2,1-2H3,(H,26,29).
What are the key properties of 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide?
6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-N-(3-cyanophenyl)-8-methyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 66868403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).