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

C24H28N4O — CID 46908101

IUPACN-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-17-21(15-19-5-4-12-25-22(19)27-17)23(29)26-16-18-6-8-20(9-7-18)28-13-10-24(2,3)11-14-28/h4-9,12,15H,10-11,13-14,16H2,1-3H3,(H,26,29)
InChIKeyLBHLFSFXQZXECA-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.49
Rot. Bonds4

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

N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 46908101) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID46908101
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCC(C)(C)CC2)cc1
InChIInChI=1S/C24H28N4O/c1-17-21(15-19-5-4-12-25-22(19)27-17)23(29)26-16-18-6-8-20(9-7-18)28-13-10-24(2,3)11-14-28/h4-9,12,15H,10-11,13-14,16H2,1-3H3,(H,26,29)
InChIKeyLBHLFSFXQZXECA-UHFFFAOYSA-N
XLogP4.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909068
N-[[4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46908099
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
N-[(4-cyclohexylphenyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
CID 46909359
2-methyl-N-[(6-phenyl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 46908965
N-(2-hydroxyphenyl)-2-methyl-1,8-naphthyridine-3-carboxamide
CID 11380444
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide
CID 166062420
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63069986
N-[(4-morpholin-4-ylphenyl)methyl]-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162992
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505324

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 46908101) is N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)NCc1ccc(N2CCC(C)(C)CC2)cc1.
What is the InChIKey of N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is LBHLFSFXQZXECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-21(15-19-5-4-12-25-22(19)27-17)23(29)26-16-18-6-8-20(9-7-18)28-13-10-24(2,3)11-14-28/h4-9,12,15H,10-11,13-14,16H2,1-3H3,(H,26,29).
What are the key properties of N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 46908101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).