6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide

C16H21N5O — CID 10590275

IUPAC6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESNCCNCc1cccc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c17-8-11-18-12-14-5-3-6-15(21-14)16(22)20-10-7-13-4-1-2-9-19-13/h1-6,9,18H,7-8,10-12,17H2,(H,20,22)
InChIKeyQVULFSLOTSQLCA-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.50
Rot. Bonds8

About 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide

6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide (PubChem CID 10590275) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
PubChem CID10590275
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
SMILESNCCNCc1cccc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C16H21N5O/c17-8-11-18-12-14-5-3-6-15(21-14)16(22)20-10-7-13-4-1-2-9-19-13/h1-6,9,18H,7-8,10-12,17H2,(H,20,22)
InChIKeyQVULFSLOTSQLCA-UHFFFAOYSA-N
XLogP0.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-aminoethylamino)methyl]-N-[2-(5-nitro-1H-imidazol-4-yl)ethyl]pyridine-2-carboxamide
CID 135439559
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
6-amino-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62152173
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
[2-[6-(2-pyridin-2-ylethylcarbamoyl)-2-pyridinyl]phenyl]methylcarbamic acid
CID 18174415
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
5-bromo-N-(2-pyridin-2-ylethyl)pyrazine-2-carboxamide
CID 112530253
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide (CID 10590275) is 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide is NCCNCc1cccc(C(=O)NCCc2ccccn2)n1.
What is the InChIKey of 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
The InChIKey is QVULFSLOTSQLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c17-8-11-18-12-14-5-3-6-15(21-14)16(22)20-10-7-13-4-1-2-9-19-13/h1-6,9,18H,7-8,10-12,17H2,(H,20,22).
What are the key properties of 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide?
6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoethylamino)methyl]-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 10590275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).