2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

C11H14N6O — CID 64517177

IUPAC2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccnc(N)c2)n[nH]1
InChIInChI=1S/C11H14N6O/c1-7-14-10(16-15-7)6-17(2)11(18)8-3-4-13-9(12)5-8/h3-5H,6H2,1-2H3,(H2,12,13)(H,14,15,16)
InChIKeyRMGURCNGHKWSJP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.36
Rot. Bonds3

About 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 64517177) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID64517177
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccnc(N)c2)n[nH]1
InChIInChI=1S/C11H14N6O/c1-7-14-10(16-15-7)6-17(2)11(18)8-3-4-13-9(12)5-8/h3-5H,6H2,1-2H3,(H2,12,13)(H,14,15,16)
InChIKeyRMGURCNGHKWSJP-UHFFFAOYSA-N
XLogP0.36
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 64519300
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525861
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-nitrobenzamide
CID 64516980
4-bromo-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 113339204
N-methyl-3-methylsulfonyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511771
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 64510807
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxamide
CID 64510794
3-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511572
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511418
N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 64517368
3-hydroxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-nitrobenzamide
CID 102741897
5-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-nitrobenzamide
CID 64517176

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (CID 64517177) is 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is Cc1nc(CN(C)C(=O)c2ccnc(N)c2)n[nH]1.
What is the InChIKey of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RMGURCNGHKWSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-14-10(16-15-7)6-17(2)11(18)8-3-4-13-9(12)5-8/h3-5H,6H2,1-2H3,(H2,12,13)(H,14,15,16).
What are the key properties of 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 64517177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).