4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide

C14H20N6O — CID 56901236

IUPAC4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cn(CCNc2ccnc(C(=O)NC(C)C)c2)nn1
InChIInChI=1S/C14H20N6O/c1-10(2)17-14(21)13-8-12(4-5-16-13)15-6-7-20-9-11(3)18-19-20/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)(H,17,21)
InChIKeyDBDGIYWUUNVCKI-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.23
Rot. Bonds6

About 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide

4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 56901236) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID56901236
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cn(CCNc2ccnc(C(=O)NC(C)C)c2)nn1
InChIInChI=1S/C14H20N6O/c1-10(2)17-14(21)13-8-12(4-5-16-13)15-6-7-20-9-11(3)18-19-20/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)(H,17,21)
InChIKeyDBDGIYWUUNVCKI-UHFFFAOYSA-N
XLogP1.23
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(4-methyltriazol-1-yl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 56888206
4-[2-(4-methylpyrazol-1-yl)ethylamino]pyridine-2-carboxamide
CID 104880080
4-[2-(2,4-dichlorophenyl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201372
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95722888
3-[(2-carbamothioyl-4-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113410632
4-[(3-chloro-2,6-difluorophenyl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56889894
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
4-(3-methylbutylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109217395

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide (CID 56901236) is 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide is Cc1cn(CCNc2ccnc(C(=O)NC(C)C)c2)nn1.
What is the InChIKey of 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is DBDGIYWUUNVCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)17-14(21)13-8-12(4-5-16-13)15-6-7-20-9-11(3)18-19-20/h4-5,8-10H,6-7H2,1-3H3,(H,15,16)(H,17,21).
What are the key properties of 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide?
4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyltriazol-1-yl)ethylamino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 56901236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).