4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide

C20H23N5O3 — CID 66920795

IUPAC4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(N)c1C#N
InChIInChI=1S/C20H23N5O3/c1-2-28-20-16(12-21)17(22)11-18(24-20)19(26)23-13-14-3-5-15(6-4-14)25-7-9-27-10-8-25/h3-6,11H,2,7-10,13H2,1H3,(H2,22,24)(H,23,26)
InChIKeyUGDNZUHLCLVQBC-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.70
Rot. Bonds6

About 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 66920795) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID66920795
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(N)c1C#N
InChIInChI=1S/C20H23N5O3/c1-2-28-20-16(12-21)17(22)11-18(24-20)19(26)23-13-14-3-5-15(6-4-14)25-7-9-27-10-8-25/h3-6,11H,2,7-10,13H2,1H3,(H2,22,24)(H,23,26)
InChIKeyUGDNZUHLCLVQBC-UHFFFAOYSA-N
XLogP1.70
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
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-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
CID 70924791
methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66920745
4-amino-5-cyano-6-ethoxy-N-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 66920699
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
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
CID 70924988
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503955

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide (CID 66920795) is 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is UGDNZUHLCLVQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-2-28-20-16(12-21)17(22)11-18(24-20)19(26)23-13-14-3-5-15(6-4-14)25-7-9-27-10-8-25/h3-6,11H,2,7-10,13H2,1H3,(H2,22,24)(H,23,26).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66920795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).