N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C24H31N7O — CID 139008101

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)CC2)ncn1
InChIInChI=1S/C24H31N7O/c1-5-18-14-22(26-15-25-18)30-12-10-19(11-13-30)28-24(32)23-27-17(4)31(29-23)21-9-7-6-8-20(21)16(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,28,32)
InChIKeyLZAQGMDJNSESGH-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.45
Rot. Bonds6

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 139008101) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID139008101
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)CC2)ncn1
InChIInChI=1S/C24H31N7O/c1-5-18-14-22(26-15-25-18)30-12-10-19(11-13-30)28-24(32)23-27-17(4)31(29-23)21-9-7-6-8-20(21)16(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,28,32)
InChIKeyLZAQGMDJNSESGH-UHFFFAOYSA-N
XLogP3.45
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 137348469
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 122234475
2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 135998835
4-(2,2-Dimethylpropyl)-1-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-one
CID 168278348
2-tert-butyl-N-[[2-methyl-4-[5-(4-prop-2-enoylpiperazin-1-yl)pyrimidin-4-yl]phenyl]methyl]tetrazole-5-carboxamide
CID 162725204
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CID 3567025
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CID 3906266
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CID 10115868
5-(3-aminopiperidin-1-yl)-4-but-2-ynyl-N-[(3-methylisoquinolin-1-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 11567905
1-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-2-one
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3-[4-[(2-Ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-1-piperazin-1-ylpropan-1-one
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(S)-2-(1-methyl-3-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-ylamino)-N-(1-phenylethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 139008101) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is CCc1cc(N2CCC(NC(=O)c3nc(C)n(-c4ccccc4C(C)C)n3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is LZAQGMDJNSESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-5-18-14-22(26-15-25-18)30-12-10-19(11-13-30)28-24(32)23-27-17(4)31(29-23)21-9-7-6-8-20(21)16(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,28,32).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 139008101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).