N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide

C22H32N4O3 — CID 7287931

IUPACN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(C[C@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C22H32N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h12-13,15,17-18H,1-11,14,16H2,(H,25,28)/t18-/m1/s1
InChIKeyVTVKPIUZZKGCCI-GOSISDBHSA-N
MW400.52 g/mol
LogP2.86
Rot. Bonds6

About N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide

N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 7287931) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID7287931
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
SMILESO=C(c1cnccn1)N(C[C@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C22H32N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h12-13,15,17-18H,1-11,14,16H2,(H,25,28)/t18-/m1/s1
InChIKeyVTVKPIUZZKGCCI-GOSISDBHSA-N
XLogP2.86
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 40829015
N-cyclohexyl-1-[[2-(1H-indol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]cyclohexane-1-carboxamide
CID 41236345
2-(oxolan-2-yl)-1-pyrazin-2-ylethanone
CID 62621906
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783434
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
4-(oxolan-2-yl)-1-pyrazin-2-ylbutan-1-one
CID 65167261
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7297460
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3557301
N-[2-(oxolan-2-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335961
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 7099177

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide (CID 7287931) is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide is O=C(c1cnccn1)N(C[C@H]1CCCO1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is VTVKPIUZZKGCCI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H32N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h12-13,15,17-18H,1-11,14,16H2,(H,25,28)/t18-/m1/s1.
What are the key properties of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide?
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7287931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).