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

C20H29N7O — CID 136528247

IUPACN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(-n3cncn3)nc2)(N2CCCCC2)CC1
InChIInChI=1S/C20H29N7O/c1-25-11-7-20(8-12-25,26-9-3-2-4-10-26)14-23-19(28)17-5-6-18(22-13-17)27-16-21-15-24-27/h5-6,13,15-16H,2-4,7-12,14H2,1H3,(H,23,28)
InChIKeyUMQJZKSQVWZFQS-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.34
Rot. Bonds5

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

N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 136528247) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID136528247
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(-n3cncn3)nc2)(N2CCCCC2)CC1
InChIInChI=1S/C20H29N7O/c1-25-11-7-20(8-12-25,26-9-3-2-4-10-26)14-23-19(28)17-5-6-18(22-13-17)27-16-21-15-24-27/h5-6,13,15-16H,2-4,7-12,14H2,1H3,(H,23,28)
InChIKeyUMQJZKSQVWZFQS-UHFFFAOYSA-N
XLogP1.34
TPSA79.18 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119567147
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 106385679
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74245566
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 107847089
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 107164989
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 64555973

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 136528247) is N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is CN1CCC(CNC(=O)c2ccc(-n3cncn3)nc2)(N2CCCCC2)CC1.
What is the InChIKey of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is UMQJZKSQVWZFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-25-11-7-20(8-12-25,26-9-3-2-4-10-26)14-23-19(28)17-5-6-18(22-13-17)27-16-21-15-24-27/h5-6,13,15-16H,2-4,7-12,14H2,1H3,(H,23,28).
What are the key properties of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 136528247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).