N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

C22H22N6O — CID 56836487

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C22H22N6O/c1-14-10-21(23)25-15(2)19(14)11-24-22(29)20-13-28(27-26-20)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-10,13H,11-12H2,1-2H3,(H2,23,25)(H,24,29)
InChIKeyNLRLSHYJGRTPLS-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.00
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (PubChem CID 56836487) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
PubChem CID56836487
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C22H22N6O/c1-14-10-21(23)25-15(2)19(14)11-24-22(29)20-13-28(27-26-20)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-10,13H,11-12H2,1-2H3,(H2,23,25)(H,24,29)
InChIKeyNLRLSHYJGRTPLS-UHFFFAOYSA-N
XLogP3.00
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 56836486
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(5-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081254
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-methylquinolin-3-yl)methyl]triazole-4-carboxamide
CID 58081222
methyl 4-[[1-(naphthalen-1-ylmethyl)triazole-4-carbonyl]amino]butanoate
CID 42215304
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[[[(Z)-4-iminobut-2-en-2-yl]-methylamino]methyl]phenyl]methyl]triazole-4-carboxamide
CID 88584514
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56881683
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42358241
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 45204441
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42213389
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide
CID 118002620
(Z)-2-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(methylideneamino)-(naphthalen-1-ylmethyl)amino]prop-2-enamide
CID 67208656

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (CID 56836487) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2cccc3ccccc23)nn1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The InChIKey is NLRLSHYJGRTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-10-21(23)25-15(2)19(14)11-24-22(29)20-13-28(27-26-20)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-10,13H,11-12H2,1-2H3,(H2,23,25)(H,24,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56836487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).