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

C12H17N3O2 — CID 109224153

IUPACN-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)NCCOC)c1
InChIInChI=1S/C12H17N3O2/c1-3-4-14-11-7-10(8-13-9-11)12(16)15-5-6-17-2/h3,7-9,14H,1,4-6H2,2H3,(H,15,16)
InChIKeyIRMZGDMDVWFHDE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds7

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

N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 109224153) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID109224153
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNc1cncc(C(=O)NCCOC)c1
InChIInChI=1S/C12H17N3O2/c1-3-4-14-11-7-10(8-13-9-11)12(16)15-5-6-17-2/h3,7-9,14H,1,4-6H2,2H3,(H,15,16)
InChIKeyIRMZGDMDVWFHDE-UHFFFAOYSA-N
XLogP1.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
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-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
N-(3,4-dimethylphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224241
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide (CID 109224153) is N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNc1cncc(C(=O)NCCOC)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is IRMZGDMDVWFHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-4-14-11-7-10(8-13-9-11)12(16)15-5-6-17-2/h3,7-9,14H,1,4-6H2,2H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide?
N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109224153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).