2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide

C42H39N7O3 — CID 161431830

IUPAC2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1cc(-c2ccccc2)co1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H22N4O.C21H17N3O2/c1-15-19(13-17-5-4-10-22-20(17)24-15)21(26)23-14-16-6-8-18(9-7-16)25-11-2-3-12-25;1-14-19(11-16-8-5-9-22-20(16)24-14)21(25)23-12-18-10-17(13-26-18)15-6-3-2-4-7-15/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,26);2-11,13H,12H2,1H3,(H,23,25)
InChIKeyVYCSBHIQLRDJAG-UHFFFAOYSA-N
MW689.82 g/mol
LogP7.60
Rot. Bonds8

About 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 161431830) has the molecular formula C42H39N7O3 and a molecular weight of 689.82 g/mol. Its IUPAC name is 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID161431830
Molecular FormulaC42H39N7O3
Molecular Weight689.82 g/mol
Exact Mass689.31
IUPAC Name2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1cc(-c2ccccc2)co1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H22N4O.C21H17N3O2/c1-15-19(13-17-5-4-10-22-20(17)24-15)21(26)23-14-16-6-8-18(9-7-16)25-11-2-3-12-25;1-14-19(11-16-8-5-9-22-20(16)24-14)21(25)23-12-18-10-17(13-26-18)15-6-3-2-4-7-15/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,26);2-11,13H,12H2,1H3,(H,23,25)
InChIKeyVYCSBHIQLRDJAG-UHFFFAOYSA-N
XLogP7.60
TPSA126.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46908101
N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46908099
2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 46908965
N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909068
4-bromofuran-2-carbaldehyde;2-methyl-1,8-naphthyridine-3-carboxylic acid;2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;phenylboronic acid;4-phenylfuran-2-carbaldehyde;(4-phenylfuran-2-yl)methanamine
CID 159044761
N-[(4-cyclohexylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909359
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 55850238
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide (CID 161431830) is 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1cc(-c2ccccc2)co1.Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is VYCSBHIQLRDJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.C21H17N3O2/c1-15-19(13-17-5-4-10-22-20(17)24-15)21(26)23-14-16-6-8-18(9-7-16)25-11-2-3-12-25;1-14-19(11-16-8-5-9-22-20(16)24-14)21(25)23-12-18-10-17(13-26-18)15-6-3-2-4-7-15/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,26);2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 689.82 g/mol, XLogP of 7.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-phenylfuran-2-yl)methyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 161431830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).