6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide

C20H25N5O3 — CID 146041492

IUPAC6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide
SMILESO=C(CCc1cccnc1)NC[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C20H25N5O3/c26-18(7-6-14-4-2-8-21-10-14)23-11-15-3-1-5-16(9-15)25-20(28)17-12-24-19(27)13-22-17/h2,4,8,10,12-13,15-16H,1,3,5-7,9,11H2,(H,23,26)(H,24,27)(H,25,28)/t15-,16+/m1/s1
InChIKeyUNEIXWHQJHAUEE-CVEARBPZSA-N
MW383.45 g/mol
LogP1.20
Rot. Bonds7

About 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide

6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide (PubChem CID 146041492) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide
PubChem CID146041492
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide
SMILESO=C(CCc1cccnc1)NC[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C20H25N5O3/c26-18(7-6-14-4-2-8-21-10-14)23-11-15-3-1-5-16(9-15)25-20(28)17-12-24-19(27)13-22-17/h2,4,8,10,12-13,15-16H,1,3,5-7,9,11H2,(H,23,26)(H,24,27)(H,25,28)/t15-,16+/m1/s1
InChIKeyUNEIXWHQJHAUEE-CVEARBPZSA-N
XLogP1.20
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide with MolForge

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Related Compounds

6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
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CID 131942617
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855
(2S)-2-hydroxy-4-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 107834523
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
N-(morpholin-2-ylmethyl)-3-pyridin-3-ylpropanamide
CID 115323825
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide (CID 146041492) is 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide is O=C(CCc1cccnc1)NC[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide?
The InChIKey is UNEIXWHQJHAUEE-CVEARBPZSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-18(7-6-14-4-2-8-21-10-14)23-11-15-3-1-5-16(9-15)25-20(28)17-12-24-19(27)13-22-17/h2,4,8,10,12-13,15-16H,1,3,5-7,9,11H2,(H,23,26)(H,24,27)(H,25,28)/t15-,16+/m1/s1.
What are the key properties of 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide?
6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1S,3R)-3-[(3-pyridin-3-ylpropanoylamino)methyl]cyclohexyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 146041492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).