1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide

C19H25N5O2 — CID 169414482

IUPAC1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCC(C(=O)NCCc2cnccn2)CC1
InChIInChI=1S/C19H25N5O2/c1-24-12-2-3-17(24)19(26)23-15-6-4-14(5-7-15)18(25)22-9-8-16-13-20-10-11-21-16/h2-3,10-15H,4-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyAVTJQEDWICOVCF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.46
Rot. Bonds6

About 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide

1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide (PubChem CID 169414482) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
PubChem CID169414482
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCC(C(=O)NCCc2cnccn2)CC1
InChIInChI=1S/C19H25N5O2/c1-24-12-2-3-17(24)19(26)23-15-6-4-14(5-7-15)18(25)22-9-8-16-13-20-10-11-21-16/h2-3,10-15H,4-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyAVTJQEDWICOVCF-UHFFFAOYSA-N
XLogP1.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide
CID 171339105
1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
CID 169420316
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
CID 72838302
(3R,6S)-6-[(2-fluoro-6-methoxybenzoyl)amino]-1-methyl-N-(2-pyrazin-2-ylethyl)azepane-3-carboxamide
CID 175645658
(2S,4S)-1-[2-[2-[(2S,4S)-2-carboxy-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylic acid
CID 11882311
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
CID 126791351
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
(2S,4S)-1-[(1S,2R)-2-[(2S,4S)-2-carboxylato-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 11882292
(2S,4S)-1-[(1R,2S)-2-[(2S,4S)-2-carboxylato-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 11882298
N-[2-(3-hydroxyphenyl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 138026646

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide (CID 169414482) is 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CCC(C(=O)NCCc2cnccn2)CC1.
What is the InChIKey of 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide?
The InChIKey is AVTJQEDWICOVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-24-12-2-3-17(24)19(26)23-15-6-4-14(5-7-15)18(25)22-9-8-16-13-20-10-11-21-16/h2-3,10-15H,4-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide?
1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide is sourced from PubChem (CID 169414482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).