4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide

C16H17N5O2 — CID 70924870

IUPAC4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCc2cccnc2)cc(N)c1C#N
InChIInChI=1S/C16H17N5O2/c1-2-23-16-12(9-17)13(18)8-14(21-16)15(22)20-7-5-11-4-3-6-19-10-11/h3-4,6,8,10H,2,5,7H2,1H3,(H2,18,21)(H,20,22)
InChIKeyUWQYAKCZSARYJL-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.30
Rot. Bonds6

About 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide (PubChem CID 70924870) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
PubChem CID70924870
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCCc2cccnc2)cc(N)c1C#N
InChIInChI=1S/C16H17N5O2/c1-2-23-16-12(9-17)13(18)8-14(21-16)15(22)20-7-5-11-4-3-6-19-10-11/h3-4,6,8,10H,2,5,7H2,1H3,(H2,18,21)(H,20,22)
InChIKeyUWQYAKCZSARYJL-UHFFFAOYSA-N
XLogP1.30
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 66920839
4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
CID 70924791
4-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732
4-amino-5-cyano-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-6-ethoxypyridine-2-carboxamide
CID 70924623
2-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 39561652
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
6-ethoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60896057

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide (CID 70924870) is 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide is CCOc1nc(C(=O)NCCc2cccnc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide?
The InChIKey is UWQYAKCZSARYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-23-16-12(9-17)13(18)8-14(21-16)15(22)20-7-5-11-4-3-6-19-10-11/h3-4,6,8,10H,2,5,7H2,1H3,(H2,18,21)(H,20,22).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 70924870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).