N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide

C11H13N3O2 — CID 105063443

IUPACN-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide
SMILESCCN(CC#N)C(=O)c1ccncc1OC
InChIInChI=1S/C11H13N3O2/c1-3-14(7-5-12)11(15)9-4-6-13-8-10(9)16-2/h4,6,8H,3,7H2,1-2H3
InChIKeyNWXXLRXWKXYZBU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.08
Rot. Bonds4

About N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide

N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide (PubChem CID 105063443) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide
PubChem CID105063443
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide
SMILESCCN(CC#N)C(=O)c1ccncc1OC
InChIInChI=1S/C11H13N3O2/c1-3-14(7-5-12)11(15)9-4-6-13-8-10(9)16-2/h4,6,8H,3,7H2,1-2H3
InChIKeyNWXXLRXWKXYZBU-UHFFFAOYSA-N
XLogP1.08
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 105063162
4-bromo-N,N-bis(cyanomethyl)-2-methoxybenzamide
CID 113296051
methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate
CID 58826959
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105063523
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
CID 105063247
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide (CID 105063443) is N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide is CCN(CC#N)C(=O)c1ccncc1OC.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide?
The InChIKey is NWXXLRXWKXYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-14(7-5-12)11(15)9-4-6-13-8-10(9)16-2/h4,6,8H,3,7H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide?
N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).