4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide

C17H17FN4O3 — CID 66920814

IUPAC4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(F)c(OC)c2)cc(N)c1C#N
InChIInChI=1S/C17H17FN4O3/c1-3-25-17-11(8-19)13(20)7-14(22-17)16(23)21-9-10-4-5-12(18)15(6-10)24-2/h4-7H,3,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyIJWNPEGVERJBFK-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.01
Rot. Bonds6

About 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 66920814) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID66920814
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(F)c(OC)c2)cc(N)c1C#N
InChIInChI=1S/C17H17FN4O3/c1-3-25-17-11(8-19)13(20)7-14(22-17)16(23)21-9-10-4-5-12(18)15(6-10)24-2/h4-7H,3,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyIJWNPEGVERJBFK-UHFFFAOYSA-N
XLogP2.01
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.01
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-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 11522966
4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 66920733
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
CID 66920638
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
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-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 66920839
4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 70924870
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 68746957

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 66920814) is 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccc(F)c(OC)c2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is IJWNPEGVERJBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-3-25-17-11(8-19)13(20)7-14(22-17)16(23)21-9-10-4-5-12(18)15(6-10)24-2/h4-7H,3,9H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.01, 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-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66920814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).