N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide

C21H29N5O2 — CID 7230966

IUPACN-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCCN(CCC(=O)NCc1cccnc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C21H29N5O2/c1-3-4-5-6-11-26(21(28)19-16-23-17(2)13-24-19)12-9-20(27)25-15-18-8-7-10-22-14-18/h7-8,10,13-14,16H,3-6,9,11-12,15H2,1-2H3,(H,25,27)
InChIKeySCORKHIKTDWVJD-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.91
Rot. Bonds11

About N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide

N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 7230966) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
PubChem CID7230966
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESCCCCCCN(CCC(=O)NCc1cccnc1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C21H29N5O2/c1-3-4-5-6-11-26(21(28)19-16-23-17(2)13-24-19)12-9-20(27)25-15-18-8-7-10-22-14-18/h7-8,10,13-14,16H,3-6,9,11-12,15H2,1-2H3,(H,25,27)
InChIKeySCORKHIKTDWVJD-UHFFFAOYSA-N
XLogP2.91
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7306735
N-hexyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7271625
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 4136501
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
CID 4170520
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
5-methyl-N-[3-oxo-3-(propylamino)propyl]-N-propylpyrazine-2-carboxamide
CID 4623539
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
N-hexyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 7236849
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
N-[3-(hexylamino)-3-oxopropyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 7237889

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide (CID 7230966) is N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide is CCCCCCN(CCC(=O)NCc1cccnc1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is SCORKHIKTDWVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-4-5-6-11-26(21(28)19-16-23-17(2)13-24-19)12-9-20(27)25-15-18-8-7-10-22-14-18/h7-8,10,13-14,16H,3-6,9,11-12,15H2,1-2H3,(H,25,27).
What are the key properties of N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide?
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7230966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).