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

C19H32N5O3+ — CID 7249269

IUPACN-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)CCN(CC[NH+]1CCOCC1)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)/p+1
InChIKeyOFNLUOYAOOGDJY-UHFFFAOYSA-O
MW378.50 g/mol
LogP-0.47
Rot. Bonds11

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

N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide (PubChem CID 7249269) has the molecular formula C19H32N5O3+ and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
PubChem CID7249269
Molecular FormulaC19H32N5O3+
Molecular Weight378.50 g/mol
Exact Mass378.25
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCNC(=O)CCN(CC[NH+]1CCOCC1)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)/p+1
InChIKeyOFNLUOYAOOGDJY-UHFFFAOYSA-O
XLogP-0.47
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide
CID 4064538
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
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 5066330
5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide
CID 7263419
N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 4160923
N-butyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 5059677
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
N-[3-(diethylamino)-3-oxopropyl]-N-propylpyrazine-2-carboxamide
CID 3621846

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide (CID 7249269) is N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide is CCCCCNC(=O)CCN(CC[NH+]1CCOCC1)C(=O)c1cnccn1.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is OFNLUOYAOOGDJY-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide?
N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of -0.47, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxo-3-(pentylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7249269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).