N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide

C23H33N5O3 — CID 110246777

IUPACN-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C23H33N5O3/c1-15(13-20-16(2)26-27(4)17(20)3)24-21(29)14-28-12-8-11-19(23(28)31)22(30)25-18-9-6-5-7-10-18/h8,11-12,15,18H,5-7,9-10,13-14H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyQCGQWJPVLCEOCV-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.01
Rot. Bonds7

About N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide

N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide (PubChem CID 110246777) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide
PubChem CID110246777
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide
SMILESCc1nn(C)c(C)c1CC(C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C23H33N5O3/c1-15(13-20-16(2)26-27(4)17(20)3)24-21(29)14-28-12-8-11-19(23(28)31)22(30)25-18-9-6-5-7-10-18/h8,11-12,15,18H,5-7,9-10,13-14H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyQCGQWJPVLCEOCV-UHFFFAOYSA-N
XLogP2.01
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635339
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 92635227
2-(4-phenylpiperidin-1-yl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]acetamide
CID 92613792
1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 100745244
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 112707991
N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026295
N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92632183
1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 95851858
6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridine-3-carboxamide
CID 92635382
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 92635828
5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 25366094

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide (CID 110246777) is N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide is Cc1nn(C)c(C)c1CC(C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O.
What is the InChIKey of N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is QCGQWJPVLCEOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-15(13-20-16(2)26-27(4)17(20)3)24-21(29)14-28-12-8-11-19(23(28)31)22(30)25-18-9-6-5-7-10-18/h8,11-12,15,18H,5-7,9-10,13-14H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide?
N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-1-[2-oxo-2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110246777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).