N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C16H20N4O2 — CID 109206050

IUPACN-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C16H20N4O2/c1-22-10-4-8-19-16(21)15-11-13(6-9-18-15)20-12-14-5-2-3-7-17-14/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeySVGGVEPXKITAHS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.86
Rot. Bonds8

About N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109206050) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109206050
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C16H20N4O2/c1-22-10-4-8-19-16(21)15-11-13(6-9-18-15)20-12-14-5-2-3-7-17-14/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,18,20)(H,19,21)
InChIKeySVGGVEPXKITAHS-UHFFFAOYSA-N
XLogP1.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.86
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

4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206035
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
4-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172971
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
4-(propylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172972
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206048
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109206050) is N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is COCCCNC(=O)c1cc(NCc2ccccn2)ccn1.
What is the InChIKey of N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is SVGGVEPXKITAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-10-4-8-19-16(21)15-11-13(6-9-18-15)20-12-14-5-2-3-7-17-14/h2-3,5-7,9,11H,4,8,10,12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).