N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide

C11H14N6O — CID 54884795

IUPACN-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ncn[nH]2)ccn1
InChIInChI=1S/C11H14N6O/c1-2-12-11(18)9-5-8(3-4-13-9)14-6-10-15-7-16-17-10/h3-5,7H,2,6H2,1H3,(H,12,18)(H,13,14)(H,15,16,17)
InChIKeyOUHSFSJTTKAOIR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.56
Rot. Bonds5

About N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide

N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide (PubChem CID 54884795) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide
PubChem CID54884795
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ncn[nH]2)ccn1
InChIInChI=1S/C11H14N6O/c1-2-12-11(18)9-5-8(3-4-13-9)14-6-10-15-7-16-17-10/h3-5,7H,2,6H2,1H3,(H,12,18)(H,13,14)(H,15,16,17)
InChIKeyOUHSFSJTTKAOIR-UHFFFAOYSA-N
XLogP0.56
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64523791
N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide
CID 64532233
N-ethyl-4-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
CID 61016724
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 61401901
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
N-ethyl-4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxamide
CID 55081264
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carboxamide
CID 79358278
N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
CID 43517917
4-[(4-amino-2,2-dimethylbutyl)amino]-N-ethylpyridine-2-carboxamide
CID 106142444

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide (CID 54884795) is N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide is CCNC(=O)c1cc(NCc2ncn[nH]2)ccn1.
What is the InChIKey of N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is OUHSFSJTTKAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-12-11(18)9-5-8(3-4-13-9)14-6-10-15-7-16-17-10/h3-5,7H,2,6H2,1H3,(H,12,18)(H,13,14)(H,15,16,17).
What are the key properties of N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide?
N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54884795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).