N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C25H32N6O3 — CID 162362209

IUPACN-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCCCCCC2)nc1
InChIInChI=1S/C25H32N6O3/c1-16-22(17(2)34-30-16)19-11-12-21(26-15-19)28-25(33)23(18-9-7-5-4-6-8-10-18)29-24(32)20-13-14-27-31(20)3/h11-15,18,23H,4-10H2,1-3H3,(H,29,32)(H,26,28,33)
InChIKeyHGILZUAAGGODJI-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.18
Rot. Bonds6

About N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 162362209) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID162362209
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC NameN-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCCCCCC2)nc1
InChIInChI=1S/C25H32N6O3/c1-16-22(17(2)34-30-16)19-11-12-21(26-15-19)28-25(33)23(18-9-7-5-4-6-8-10-18)29-24(32)20-13-14-27-31(20)3/h11-15,18,23H,4-10H2,1-3H3,(H,29,32)(H,26,28,33)
InChIKeyHGILZUAAGGODJI-UHFFFAOYSA-N
XLogP4.18
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 162362209) is N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1noc(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCCCCCC2)nc1.
What is the InChIKey of N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is HGILZUAAGGODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-16-22(17(2)34-30-16)19-11-12-21(26-15-19)28-25(33)23(18-9-7-5-4-6-8-10-18)29-24(32)20-13-14-27-31(20)3/h11-15,18,23H,4-10H2,1-3H3,(H,29,32)(H,26,28,33).
What are the key properties of N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclooctyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 162362209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).