N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide

C24H30N6O3 — CID 162362278

IUPACN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2conc2C)C2CCC(C)CC2)nc1
InChIInChI=1S/C24H30N6O3/c1-14-5-7-17(8-6-14)21(28-23(31)19-13-33-29-16(19)3)24(32)27-20-10-9-18(12-25-20)22-15(2)11-26-30(22)4/h9-14,17,21H,5-8H2,1-4H3,(H,28,31)(H,25,27,32)
InChIKeyUMLPXLMVQRYWKS-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.65
Rot. Bonds6

About N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 162362278) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID162362278
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2conc2C)C2CCC(C)CC2)nc1
InChIInChI=1S/C24H30N6O3/c1-14-5-7-17(8-6-14)21(28-23(31)19-13-33-29-16(19)3)24(32)27-20-10-9-18(12-25-20)22-15(2)11-26-30(22)4/h9-14,17,21H,5-8H2,1-4H3,(H,28,31)(H,25,27,32)
InChIKeyUMLPXLMVQRYWKS-UHFFFAOYSA-N
XLogP3.65
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 162362243
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 162362323
N-[(1S)-1-cycloheptyl-2-[4-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]phenyl]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 175449327
N-[2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 162362423
tert-butyl N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]carbamate
CID 175852947
2-amino-N-[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]-2-(4-methylcyclohexyl)acetamide
CID 168846549
N-[(1S)-2-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362491
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362487
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456
N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 162362316
N-[1-cycloheptyl-2-[[5-(3-ethyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 168846617
3-[(1S)-1-(4-methylcyclohexyl)-2-[[5-(5-methylpyrimidin-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-1,2-oxazole-4-carboxamide
CID 168846625

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 162362278) is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)C(NC(=O)c2conc2C)C2CCC(C)CC2)nc1.
What is the InChIKey of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UMLPXLMVQRYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-14-5-7-17(8-6-14)21(28-23(31)19-13-33-29-16(19)3)24(32)27-20-10-9-18(12-25-20)22-15(2)11-26-30(22)4/h9-14,17,21H,5-8H2,1-4H3,(H,28,31)(H,25,27,32).
What are the key properties of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).