N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

C45H48N6O4 — CID 158574277

IUPACN-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(C2(O)CCCCC2)cc1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C23H25N3O2.C22H23N3O2/c1-16-20(14-18-6-5-13-24-21(18)26-16)22(27)25-15-17-7-9-19(10-8-17)23(28)11-3-2-4-12-23;1-15-20(13-19-3-2-10-23-21(19)25-15)22(26)24-14-16-4-6-17(7-5-16)18-8-11-27-12-9-18/h5-10,13-14,28H,2-4,11-12,15H2,1H3,(H,25,27);2-7,10,13,18H,8-9,11-12,14H2,1H3,(H,24,26)
InChIKeyHSLTUXJWFUZCDA-UHFFFAOYSA-N
MW736.92 g/mol
LogP7.78
Rot. Bonds8

About N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide

N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 158574277) has the molecular formula C45H48N6O4 and a molecular weight of 736.92 g/mol. Its IUPAC name is N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID158574277
Molecular FormulaC45H48N6O4
Molecular Weight736.92 g/mol
Exact Mass736.37
IUPAC NameN-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(C2(O)CCCCC2)cc1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C23H25N3O2.C22H23N3O2/c1-16-20(14-18-6-5-13-24-21(18)26-16)22(27)25-15-17-7-9-19(10-8-17)23(28)11-3-2-4-12-23;1-15-20(13-19-3-2-10-23-21(19)25-15)22(26)24-14-16-4-6-17(7-5-16)18-8-11-27-12-9-18/h5-10,13-14,28H,2-4,11-12,15H2,1H3,(H,25,27);2-7,10,13,18H,8-9,11-12,14H2,1H3,(H,24,26)
InChIKeyHSLTUXJWFUZCDA-UHFFFAOYSA-N
XLogP7.78
TPSA139.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 57.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 158574277) is N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2(O)CCCCC2)cc1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(C2CCOCC2)cc1.
What is the InChIKey of N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is HSLTUXJWFUZCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C22H23N3O2/c1-16-20(14-18-6-5-13-24-21(18)26-16)22(27)25-15-17-7-9-19(10-8-17)23(28)11-3-2-4-12-23;1-15-20(13-19-3-2-10-23-21(19)25-15)22(26)24-14-16-4-6-17(7-5-16)18-8-11-27-12-9-18/h5-10,13-14,28H,2-4,11-12,15H2,1H3,(H,25,27);2-7,10,13,18H,8-9,11-12,14H2,1H3,(H,24,26).
What are the key properties of N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide?
N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 736.92 g/mol, XLogP of 7.78, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-hydroxycyclohexyl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide;2-methyl-N-[[4-(oxan-4-yl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158574277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).