N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide

C15H13N5O — CID 104613994

IUPACN-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
SMILESNCc1ccc(NC(=O)c2cccc3nccnc23)nc1
InChIInChI=1S/C15H13N5O/c16-8-10-4-5-13(19-9-10)20-15(21)11-2-1-3-12-14(11)18-7-6-17-12/h1-7,9H,8,16H2,(H,19,20,21)
InChIKeyHGVNMZKRDMXSMX-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.74
Rot. Bonds3

About N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide

N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide (PubChem CID 104613994) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
PubChem CID104613994
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide
SMILESNCc1ccc(NC(=O)c2cccc3nccnc23)nc1
InChIInChI=1S/C15H13N5O/c16-8-10-4-5-13(19-9-10)20-15(21)11-2-1-3-12-14(11)18-7-6-17-12/h1-7,9H,8,16H2,(H,19,20,21)
InChIKeyHGVNMZKRDMXSMX-UHFFFAOYSA-N
XLogP1.74
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(aminomethyl)-2-pyridinyl]-2-fluoro-3-methylbenzamide
CID 81481667
N-[4-(bromomethyl)phenyl]quinoxaline-5-carboxamide
CID 104615759
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
CID 55063231
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-[5-(aminomethyl)-2-pyridinyl]-2,4-difluorobenzamide
CID 62350431
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-(3-bromo-4-pyridinyl)quinoxaline-5-carboxamide
CID 104578289
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide (CID 104613994) is N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide is NCc1ccc(NC(=O)c2cccc3nccnc23)nc1.
What is the InChIKey of N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
The InChIKey is HGVNMZKRDMXSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-8-10-4-5-13(19-9-10)20-15(21)11-2-1-3-12-14(11)18-7-6-17-12/h1-7,9H,8,16H2,(H,19,20,21).
What are the key properties of N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide?
N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-pyridinyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 104613994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).