N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide

C17H18N6O — CID 167755430

IUPACN,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNc2ccc(-n3cncn3)cn2)c1
InChIInChI=1S/C17H18N6O/c1-22(2)17(24)14-5-3-4-13(8-14)9-19-16-7-6-15(10-20-16)23-12-18-11-21-23/h3-8,10-12H,9H2,1-2H3,(H,19,20)
InChIKeyKSSNHPXDDXTONY-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.98
Rot. Bonds5

About N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide

N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide (PubChem CID 167755430) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide
PubChem CID167755430
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNc2ccc(-n3cncn3)cn2)c1
InChIInChI=1S/C17H18N6O/c1-22(2)17(24)14-5-3-4-13(8-14)9-19-16-7-6-15(10-20-16)23-12-18-11-21-23/h3-8,10-12H,9H2,1-2H3,(H,19,20)
InChIKeyKSSNHPXDDXTONY-UHFFFAOYSA-N
XLogP1.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]pyridine-4-carboxamide
CID 86801668
3-[2-[[N-ethyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111670122
3-[[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]methyl]benzoic acid
CID 146087508
3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide
CID 137334174
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
6-methyl-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 119048406
3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide
CID 167885767
5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 75498235
2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167895237
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
CID 166216423
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide (CID 167755430) is N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide is CN(C)C(=O)c1cccc(CNc2ccc(-n3cncn3)cn2)c1.
What is the InChIKey of N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide?
The InChIKey is KSSNHPXDDXTONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22(2)17(24)14-5-3-4-13(8-14)9-19-16-7-6-15(10-20-16)23-12-18-11-21-23/h3-8,10-12H,9H2,1-2H3,(H,19,20).
What are the key properties of N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide?
N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 167755430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).