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

C13H18N6O — CID 64532233

IUPACN-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCCCc2ncn[nH]2)ccn1
InChIInChI=1S/C13H18N6O/c1-2-14-13(20)11-8-10(5-7-16-11)15-6-3-4-12-17-9-18-19-12/h5,7-9H,2-4,6H2,1H3,(H,14,20)(H,15,16)(H,17,18,19)
InChIKeyAGCFTJDKQUEBIW-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.99
Rot. Bonds7

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

N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide (PubChem CID 64532233) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide
PubChem CID64532233
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCCCc2ncn[nH]2)ccn1
InChIInChI=1S/C13H18N6O/c1-2-14-13(20)11-8-10(5-7-16-11)15-6-3-4-12-17-9-18-19-12/h5,7-9H,2-4,6H2,1H3,(H,14,20)(H,15,16)(H,17,18,19)
InChIKeyAGCFTJDKQUEBIW-UHFFFAOYSA-N
XLogP0.99
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide
CID 54884795
4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64523791
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carboxamide
CID 79358278
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
CID 105070362
N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide
CID 97212779
4-[2-[cyclopropyl(ethyl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 103739556
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-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide (CID 64532233) is N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide is CCNC(=O)c1cc(NCCCc2ncn[nH]2)ccn1.
What is the InChIKey of N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide?
The InChIKey is AGCFTJDKQUEBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-14-13(20)11-8-10(5-7-16-11)15-6-3-4-12-17-9-18-19-12/h5,7-9H,2-4,6H2,1H3,(H,14,20)(H,15,16)(H,17,18,19).
What are the key properties of N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide?
N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carboxamide is sourced from PubChem (CID 64532233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).