1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide

C19H20ClN5O — CID 95594230

IUPAC1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(C)[C@H](C)c2ccccn2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H20ClN5O/c1-4-17-22-18(23-25(17)16-11-6-5-9-14(16)20)19(26)24(3)13(2)15-10-7-8-12-21-15/h5-13H,4H2,1-3H3/t13-/m1/s1
InChIKeyGKPQMKKVVMMCQQ-CYBMUJFWSA-N
MW369.86 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 95594230) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide
PubChem CID95594230
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(C)[C@H](C)c2ccccn2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H20ClN5O/c1-4-17-22-18(23-25(17)16-11-6-5-9-14(16)20)19(26)24(3)13(2)15-10-7-8-12-21-15/h5-13H,4H2,1-3H3/t13-/m1/s1
InChIKeyGKPQMKKVVMMCQQ-CYBMUJFWSA-N
XLogP3.71
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide
CID 95594224
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CID 51129452
1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71268928
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
CID 71934956
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 136579493
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032429
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 86874232
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide (CID 95594230) is 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)N(C)[C@H](C)c2ccccn2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GKPQMKKVVMMCQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-4-17-22-18(23-25(17)16-11-6-5-9-14(16)20)19(26)24(3)13(2)15-10-7-8-12-21-15/h5-13H,4H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 95594230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).