N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C17H19N5O — CID 166360892

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)c1cccc2ncnn12
InChIInChI=1S/C17H19N5O/c1-12-7-8-13(10-21(2)3)9-14(12)20-17(23)15-5-4-6-16-18-11-19-22(15)16/h4-9,11H,10H2,1-3H3,(H,20,23)
InChIKeyIVVAKKSVDWOPGP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.35
Rot. Bonds4

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 166360892) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID166360892
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)c1cccc2ncnn12
InChIInChI=1S/C17H19N5O/c1-12-7-8-13(10-21(2)3)9-14(12)20-17(23)15-5-4-6-16-18-11-19-22(15)16/h4-9,11H,10H2,1-3H3,(H,20,23)
InChIKeyIVVAKKSVDWOPGP-UHFFFAOYSA-N
XLogP2.35
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-hydroxypyridine-2-carboxamide
CID 167841465
N-[5-[[[3-[(dimethylamino)methyl]phenyl]carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764679
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
CID 99612955
N-[5-[(1S)-1-[[5-[(dimethylamino)methyl]-2-fluorophenyl]carbamoylamino]ethyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86764686
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-6-methyl-2-(methylamino)pyrimidine-4-carboxamide
CID 100756252
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide
CID 167958385
1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119895227
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942474
2-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-(tetrazol-1-yl)benzamide
CID 167894331

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 166360892) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is Cc1ccc(CN(C)C)cc1NC(=O)c1cccc2ncnn12.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is IVVAKKSVDWOPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-7-8-13(10-21(2)3)9-14(12)20-17(23)15-5-4-6-16-18-11-19-22(15)16/h4-9,11H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 166360892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).