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

C12H16N6O — CID 62179357

IUPAC4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCc2nncn2C)c1
InChIInChI=1S/C12H16N6O/c1-3-13-9-4-5-14-10(6-9)12(19)15-7-11-17-16-8-18(11)2/h4-6,8H,3,7H2,1-2H3,(H,13,14)(H,15,19)
InChIKeyXNPVAJPAJBRITB-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.57
Rot. Bonds5

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

4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 62179357) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID62179357
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCc2nncn2C)c1
InChIInChI=1S/C12H16N6O/c1-3-13-9-4-5-14-10(6-9)12(19)15-7-11-17-16-8-18(11)2/h4-6,8H,3,7H2,1-2H3,(H,13,14)(H,15,19)
InChIKeyXNPVAJPAJBRITB-UHFFFAOYSA-N
XLogP0.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
6-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridazine-3-carboxamide
CID 62180418
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
4-(ethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62173804
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 55219505
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55218411
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64523791
4-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62180134
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963789

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide (CID 62179357) is 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is CCNc1ccnc(C(=O)NCc2nncn2C)c1.
What is the InChIKey of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is XNPVAJPAJBRITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-13-9-4-5-14-10(6-9)12(19)15-7-11-17-16-8-18(11)2/h4-6,8H,3,7H2,1-2H3,(H,13,14)(H,15,19).
What are the key properties of 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide?
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62179357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).