N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide

C14H20N6O — CID 63330785

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCCc2nncn2C)n1
InChIInChI=1S/C14H20N6O/c1-3-8-15-12-6-4-5-11(18-12)14(21)16-9-7-13-19-17-10-20(13)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyYUEYVZDKXNKTBS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.00
Rot. Bonds7

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 63330785) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID63330785
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCCc2nncn2C)n1
InChIInChI=1S/C14H20N6O/c1-3-8-15-12-6-4-5-11(18-12)14(21)16-9-7-13-19-17-10-20(13)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyYUEYVZDKXNKTBS-UHFFFAOYSA-N
XLogP1.00
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331341
6-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62237331
2-methyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63331339
6-(propylamino)-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 62240151
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 106050291
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63590782
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551
6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 106304155
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
3-fluoro-2-(methylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63331174

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide (CID 63330785) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NCCc2nncn2C)n1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is YUEYVZDKXNKTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-8-15-12-6-4-5-11(18-12)14(21)16-9-7-13-19-17-10-20(13)2/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)(H,16,21).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63330785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).