N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C15H18N4O2 — CID 109183851

IUPACN-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C15H18N4O2/c1-21-8-7-17-15(20)14-5-4-13(11-19-14)18-10-12-3-2-6-16-9-12/h2-6,9,11,18H,7-8,10H2,1H3,(H,17,20)
InChIKeyGMHDMBLAQQRJQI-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.46
Rot. Bonds7

About N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109183851) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109183851
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(NCc2cccnc2)cn1
InChIInChI=1S/C15H18N4O2/c1-21-8-7-17-15(20)14-5-4-13(11-19-14)18-10-12-3-2-6-16-9-12/h2-6,9,11,18H,7-8,10H2,1H3,(H,17,20)
InChIKeyGMHDMBLAQQRJQI-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

N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191325
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109183851) is N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is COCCNC(=O)c1ccc(NCc2cccnc2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is GMHDMBLAQQRJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-8-7-17-15(20)14-5-4-13(11-19-14)18-10-12-3-2-6-16-9-12/h2-6,9,11,18H,7-8,10H2,1H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-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 N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109183851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).