2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide

C19H24N8O — CID 97188833

IUPAC2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1
InChIInChI=1S/C19H24N8O/c1-20-19(28)15-6-3-7-22-18(15)27-9-4-5-14(11-27)17-24-23-16(25(17)2)12-26-10-8-21-13-26/h3,6-8,10,13-14H,4-5,9,11-12H2,1-2H3,(H,20,28)/t14-/m1/s1
InChIKeyPZOMZLAJBABHDF-CQSZACIVSA-N
MW380.46 g/mol
LogP1.20
Rot. Bonds5

About 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide

2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 97188833) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID97188833
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1
InChIInChI=1S/C19H24N8O/c1-20-19(28)15-6-3-7-22-18(15)27-9-4-5-14(11-27)17-24-23-16(25(17)2)12-26-10-8-21-13-26/h3,6-8,10,13-14H,4-5,9,11-12H2,1-2H3,(H,20,28)/t14-/m1/s1
InChIKeyPZOMZLAJBABHDF-CQSZACIVSA-N
XLogP1.20
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-hydroxy-2-pyridinyl)-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72940615
3-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,5-dimethylpyrazine
CID 97204162
(3S)-N-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97190758
cycloheptyl-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97191268
2-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]acetic acid
CID 72868361
(3S)-N-benzyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97206856
[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97203424
2-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 72889117
(4-hydroxyphenyl)-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97201120
(3S)-1-cycloheptyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97188602
(2,6-difluorophenyl)-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97203510
1-[(2-ethylphenyl)methyl]-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 72865571

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 97188833) is 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1.
What is the InChIKey of 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is PZOMZLAJBABHDF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N8O/c1-20-19(28)15-6-3-7-22-18(15)27-9-4-5-14(11-27)17-24-23-16(25(17)2)12-26-10-8-21-13-26/h3,6-8,10,13-14H,4-5,9,11-12H2,1-2H3,(H,20,28)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide?
2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 97188833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).