2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide

C20H29N7O — CID 72853068

IUPAC2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCn1c(CN2CCCCC2)nnc1C1CCN(c2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C20H29N7O/c1-25-18(14-26-9-3-2-4-10-26)23-24-20(25)15-6-11-27(12-7-15)17-13-16(19(21)28)5-8-22-17/h5,8,13,15H,2-4,6-7,9-12,14H2,1H3,(H2,21,28)
InChIKeyWSSJPYCDHAWCID-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.68
Rot. Bonds5

About 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide

2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 72853068) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID72853068
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCn1c(CN2CCCCC2)nnc1C1CCN(c2cc(C(N)=O)ccn2)CC1
InChIInChI=1S/C20H29N7O/c1-25-18(14-26-9-3-2-4-10-26)23-24-20(25)15-6-11-27(12-7-15)17-13-16(19(21)28)5-8-22-17/h5,8,13,15H,2-4,6-7,9-12,14H2,1H3,(H2,21,28)
InChIKeyWSSJPYCDHAWCID-UHFFFAOYSA-N
XLogP1.68
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide (CID 72853068) is 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide is Cn1c(CN2CCCCC2)nnc1C1CCN(c2cc(C(N)=O)ccn2)CC1.
What is the InChIKey of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is WSSJPYCDHAWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-25-18(14-26-9-3-2-4-10-26)23-24-20(25)15-6-11-27(12-7-15)17-13-16(19(21)28)5-8-22-17/h5,8,13,15H,2-4,6-7,9-12,14H2,1H3,(H2,21,28).
What are the key properties of 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide?
2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72853068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).