4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

C11H14N6O — CID 64523791

IUPAC4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C11H14N6O/c1-2-12-8-3-4-13-9(5-8)11(18)14-6-10-15-7-16-17-10/h3-5,7H,2,6H2,1H3,(H,12,13)(H,14,18)(H,15,16,17)
InChIKeyMXRJKCYHXSRQQZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.56
Rot. Bonds5

About 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 64523791) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID64523791
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C11H14N6O/c1-2-12-8-3-4-13-9(5-8)11(18)14-6-10-15-7-16-17-10/h3-5,7H,2,6H2,1H3,(H,12,13)(H,14,18)(H,15,16,17)
InChIKeyMXRJKCYHXSRQQZ-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

N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide
CID 54884795
N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide
CID 64532233
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
4-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62180134
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963789
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62179357
4-(ethylamino)-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 55046976
N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518148
4-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231660
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
4-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342560

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (CID 64523791) is 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is CCNc1ccnc(C(=O)NCc2ncn[nH]2)c1.
What is the InChIKey of 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MXRJKCYHXSRQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-12-8-3-4-13-9(5-8)11(18)14-6-10-15-7-16-17-10/h3-5,7H,2,6H2,1H3,(H,12,13)(H,14,18)(H,15,16,17).
What are the key properties of 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)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 4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 64523791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).