N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C26H31N5O3 — CID 166871779

IUPACN-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1c(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccnn3C)C3CCCCC3)cc2)ccc(=O)n1C
InChIInChI=1S/C26H31N5O3/c1-17-21(13-14-23(32)30(17)2)18-9-11-20(12-10-18)28-26(34)24(19-7-5-4-6-8-19)29-25(33)22-15-16-27-31(22)3/h9-16,19,24H,4-8H2,1-3H3,(H,28,34)(H,29,33)/t24-/m0/s1
InChIKeyYPHBAHQGQBTZAU-DEOSSOPVSA-N
MW461.57 g/mol
LogP3.41
Rot. Bonds6

About N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166871779) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID166871779
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC NameN-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1c(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccnn3C)C3CCCCC3)cc2)ccc(=O)n1C
InChIInChI=1S/C26H31N5O3/c1-17-21(13-14-23(32)30(17)2)18-9-11-20(12-10-18)28-26(34)24(19-7-5-4-6-8-19)29-25(33)22-15-16-27-31(22)3/h9-16,19,24H,4-8H2,1-3H3,(H,28,34)(H,29,33)/t24-/m0/s1
InChIKeyYPHBAHQGQBTZAU-DEOSSOPVSA-N
XLogP3.41
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 166871779) is N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1c(-c2ccc(NC(=O)[C@@H](NC(=O)c3ccnn3C)C3CCCCC3)cc2)ccc(=O)n1C.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is YPHBAHQGQBTZAU-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-17-21(13-14-23(32)30(17)2)18-9-11-20(12-10-18)28-26(34)24(19-7-5-4-6-8-19)29-25(33)22-15-16-27-31(22)3/h9-16,19,24H,4-8H2,1-3H3,(H,28,34)(H,29,33)/t24-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[4-(1,2-dimethyl-6-oxo-3-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166871779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).