N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide

C19H31N5O3 — CID 4064538

IUPACN-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)CCN(CCN1CCOCC1)C(=O)c1cnccn1
InChIInChI=1S/C19H31N5O3/c1-2-3-4-6-22-18(25)5-9-24(11-10-23-12-14-27-15-13-23)19(26)17-16-20-7-8-21-17/h7-8,16H,2-6,9-15H2,1H3,(H,22,25)
InChIKeyOFNLUOYAOOGDJY-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.95
Rot. Bonds11

About N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide

N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide (PubChem CID 4064538) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
PubChem CID4064538
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)CCN(CCN1CCOCC1)C(=O)c1cnccn1
InChIInChI=1S/C19H31N5O3/c1-2-3-4-6-22-18(25)5-9-24(11-10-23-12-14-27-15-13-23)19(26)17-16-20-7-8-21-17/h7-8,16H,2-6,9-15H2,1H3,(H,22,25)
InChIKeyOFNLUOYAOOGDJY-UHFFFAOYSA-N
XLogP0.95
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7249269
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 4253223
N-[[(2S)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 7264899
N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 42783431
N-[3-(hexylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 3655051
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 4067172
N-methyl-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 110752355
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
5-methyl-N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4174718

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide (CID 4064538) is N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide is CCCCCNC(=O)CCN(CCN1CCOCC1)C(=O)c1cnccn1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is OFNLUOYAOOGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-2-3-4-6-22-18(25)5-9-24(11-10-23-12-14-27-15-13-23)19(26)17-16-20-7-8-21-17/h7-8,16H,2-6,9-15H2,1H3,(H,22,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4064538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).