5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide

C19H27N7O — CID 119399541

IUPAC5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CCCC3)nc2)nnn1C1CCNCC1
InChIInChI=1S/C19H27N7O/c1-14-18(23-24-26(14)16-6-8-20-9-7-16)19(27)22-13-15-4-5-17(21-12-15)25-10-2-3-11-25/h4-5,12,16,20H,2-3,6-11,13H2,1H3,(H,22,27)
InChIKeyRPQUQOPSFULXSV-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.44
Rot. Bonds5

About 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 119399541) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID119399541
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(N3CCCC3)nc2)nnn1C1CCNCC1
InChIInChI=1S/C19H27N7O/c1-14-18(23-24-26(14)16-6-8-20-9-7-16)19(27)22-13-15-4-5-17(21-12-15)25-10-2-3-11-25/h4-5,12,16,20H,2-3,6-11,13H2,1H3,(H,22,27)
InChIKeyRPQUQOPSFULXSV-UHFFFAOYSA-N
XLogP1.44
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-1-piperidin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
CID 119841519
5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
CID 119841338
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496
5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
CID 119847239
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119684778
3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea
CID 128786544
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 119691535
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119772189

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide (CID 119399541) is 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide is Cc1c(C(=O)NCc2ccc(N3CCCC3)nc2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is RPQUQOPSFULXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-14-18(23-24-26(14)16-6-8-20-9-7-16)19(27)22-13-15-4-5-17(21-12-15)25-10-2-3-11-25/h4-5,12,16,20H,2-3,6-11,13H2,1H3,(H,22,27).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 119399541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).