N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

C13H18N6O — CID 64517564

IUPACN-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)Cc2ncn[nH]2)n1
InChIInChI=1S/C13H18N6O/c1-3-7-14-11-6-4-5-10(17-11)13(20)19(2)8-12-15-9-16-18-12/h4-6,9H,3,7-8H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyXGMPTTUAHDBXAV-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.29
Rot. Bonds6

About N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 64517564) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID64517564
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)Cc2ncn[nH]2)n1
InChIInChI=1S/C13H18N6O/c1-3-7-14-11-6-4-5-10(17-11)13(20)19(2)8-12-15-9-16-18-12/h4-6,9H,3,7-8H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyXGMPTTUAHDBXAV-UHFFFAOYSA-N
XLogP1.29
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (CID 64517564) is N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is CCCNc1cccc(C(=O)N(C)Cc2ncn[nH]2)n1.
What is the InChIKey of N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XGMPTTUAHDBXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-7-14-11-6-4-5-10(17-11)13(20)19(2)8-12-15-9-16-18-12/h4-6,9H,3,7-8H2,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 64517564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).