5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C15H18N4O2 — CID 109227845

IUPAC5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCNc1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H18N4O2/c1-21-7-6-18-14-8-12(9-16-10-14)15(20)19-11-13-4-2-3-5-17-13/h2-5,8-10,18H,6-7,11H2,1H3,(H,19,20)
InChIKeyQQAPTLKNRZVODV-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.46
Rot. Bonds7

About 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109227845) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109227845
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOCCNc1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H18N4O2/c1-21-7-6-18-14-8-12(9-16-10-14)15(20)19-11-13-4-2-3-5-17-13/h2-5,8-10,18H,6-7,11H2,1H3,(H,19,20)
InChIKeyQQAPTLKNRZVODV-UHFFFAOYSA-N
XLogP1.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.46
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

5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
methyl 4-[[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235016
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
N-[(4-methylphenyl)methyl]-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109232494
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235057
N-(4-methoxyphenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235142
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109227845) is 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is COCCNc1cncc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QQAPTLKNRZVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-7-6-18-14-8-12(9-16-10-14)15(20)19-11-13-4-2-3-5-17-13/h2-5,8-10,18H,6-7,11H2,1H3,(H,19,20).
What are the key properties of 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109227845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).