N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide

C16H21N5O — CID 109283102

IUPACN-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(NCc2ccccn2)cn1
InChIInChI=1S/C16H21N5O/c1-2-3-5-9-18-16(22)14-11-21-15(12-19-14)20-10-13-7-4-6-8-17-13/h4,6-8,11-12H,2-3,5,9-10H2,1H3,(H,18,22)(H,20,21)
InChIKeyLMFKNXSWWFEFBB-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.40
Rot. Bonds8

About N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide

N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283102) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283102
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(NCc2ccccn2)cn1
InChIInChI=1S/C16H21N5O/c1-2-3-5-9-18-16(22)14-11-21-15(12-19-14)20-10-13-7-4-6-8-17-13/h4,6-8,11-12H,2-3,5,9-10H2,1H3,(H,18,22)(H,20,21)
InChIKeyLMFKNXSWWFEFBB-UHFFFAOYSA-N
XLogP2.40
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-[2-(4-methoxyphenoxy)ethyl]-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283097
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
N-(4-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283138
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283148

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide (CID 109283102) is N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(NCc2ccccn2)cn1.
What is the InChIKey of N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is LMFKNXSWWFEFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-3-5-9-18-16(22)14-11-21-15(12-19-14)20-10-13-7-4-6-8-17-13/h4,6-8,11-12H,2-3,5,9-10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).