4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C18H21N7O — CID 56876202

IUPAC4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCn1cnnc1CN(C)c1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C18H21N7O/c1-3-25-13-22-23-17(25)12-24(2)15-6-8-20-16(9-15)18(26)21-11-14-5-4-7-19-10-14/h4-10,13H,3,11-12H2,1-2H3,(H,21,26)
InChIKeyBWDLQRRXXUHFCN-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.65
Rot. Bonds7

About 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 56876202) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID56876202
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCCn1cnnc1CN(C)c1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C18H21N7O/c1-3-25-13-22-23-17(25)12-24(2)15-6-8-20-16(9-15)18(26)21-11-14-5-4-7-19-10-14/h4-10,13H,3,11-12H2,1-2H3,(H,21,26)
InChIKeyBWDLQRRXXUHFCN-UHFFFAOYSA-N
XLogP1.65
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 56876202) is 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is CCn1cnnc1CN(C)c1ccnc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BWDLQRRXXUHFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-3-25-13-22-23-17(25)12-24(2)15-6-8-20-16(9-15)18(26)21-11-14-5-4-7-19-10-14/h4-10,13H,3,11-12H2,1-2H3,(H,21,26).
What are the key properties of 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 56876202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).