N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

C13H19N3O2 — CID 109180434

IUPACN-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCCOC)nc1
InChIInChI=1S/C13H19N3O2/c1-3-7-14-11-5-6-12(16-10-11)13(17)15-8-4-9-18-2/h3,5-6,10,14H,1,4,7-9H2,2H3,(H,15,17)
InChIKeyGCNIQOBYYZGXPR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.45
Rot. Bonds8

About N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide

N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109180434) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109180434
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCCOC)nc1
InChIInChI=1S/C13H19N3O2/c1-3-7-14-11-5-6-12(16-10-11)13(17)15-8-4-9-18-2/h3,5-6,10,14H,1,4,7-9H2,2H3,(H,15,17)
InChIKeyGCNIQOBYYZGXPR-UHFFFAOYSA-N
XLogP1.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198
5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180300
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
N-(3-methoxypropyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109184207
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180508
5-[2-(4-methoxyphenyl)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180272
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide (CID 109180434) is N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccc(C(=O)NCCCOC)nc1.
What is the InChIKey of N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is GCNIQOBYYZGXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-7-14-11-5-6-12(16-10-11)13(17)15-8-4-9-18-2/h3,5-6,10,14H,1,4,7-9H2,2H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide?
N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109180434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).