N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide

C18H24N6O4 — CID 162632981

IUPACN-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1NC(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C18H24N6O4/c1-28-15-9-12(17(26)20-6-8-24-7-2-5-21-24)3-4-13(15)23-18(27)14-10-19-11-16(25)22-14/h2,5,7,10-13,15H,3-4,6,8-9H2,1H3,(H,20,26)(H,22,25)(H,23,27)/t12-,13+,15+/m0/s1
InChIKeyNTWUFSUSFMCEAW-GZBFAFLISA-N
MW388.43 g/mol
LogP-0.30
Rot. Bonds7

About N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide

N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 162632981) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID162632981
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC NameN-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1NC(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C18H24N6O4/c1-28-15-9-12(17(26)20-6-8-24-7-2-5-21-24)3-4-13(15)23-18(27)14-10-19-11-16(25)22-14/h2,5,7,10-13,15H,3-4,6,8-9H2,1H3,(H,20,26)(H,22,25)(H,23,27)/t12-,13+,15+/m0/s1
InChIKeyNTWUFSUSFMCEAW-GZBFAFLISA-N
XLogP-0.30
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
CID 157014672
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
CID 135105960
(1S,3R,4R)-3-amino-4-methoxy-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 155508081
5-(methoxymethyl)-N-[(1R,3S)-3-(2-pyrazol-1-ylethylcarbamoyl)cyclopentyl]furan-2-carboxamide
CID 70709236
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 162625671
(1S,3R,4R)-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 163313889
N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 162637213
N-[(1R,2R,5S)-2-methoxy-5-[2-(1,2,4-triazol-1-yl)ethylcarbamoyl]cyclohexyl]-5-methyl-2H-triazole-4-carboxamide
CID 162633949
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128980203
(1S,3R,4R)-3-methoxy-4-(phenylcarbamoylamino)-N-[3-(triazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 162634607

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide (CID 162632981) is N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide is CO[C@@H]1C[C@@H](C(=O)NCCn2cccn2)CC[C@H]1NC(=O)c1cncc(=O)[nH]1.
What is the InChIKey of N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is NTWUFSUSFMCEAW-GZBFAFLISA-N. The full InChI is InChI=1S/C18H24N6O4/c1-28-15-9-12(17(26)20-6-8-24-7-2-5-21-24)3-4-13(15)23-18(27)14-10-19-11-16(25)22-14/h2,5,7,10-13,15H,3-4,6,8-9H2,1H3,(H,20,26)(H,22,25)(H,23,27)/t12-,13+,15+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide?
N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 162632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).