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

C16H15N5O4 — CID 11522966

IUPAC4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(N)c1C#N
InChIInChI=1S/C16H15N5O4/c1-2-25-16-12(8-17)13(18)7-14(20-16)15(22)19-9-10-3-5-11(6-4-10)21(23)24/h3-7H,2,9H2,1H3,(H2,18,20)(H,19,22)
InChIKeyLUOTVHITZOCKRW-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.77
Rot. Bonds6

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

4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide (PubChem CID 11522966) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
PubChem CID11522966
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(N)c1C#N
InChIInChI=1S/C16H15N5O4/c1-2-25-16-12(8-17)13(18)7-14(20-16)15(22)19-9-10-3-5-11(6-4-10)21(23)24/h3-7H,2,9H2,1H3,(H2,18,20)(H,19,22)
InChIKeyLUOTVHITZOCKRW-UHFFFAOYSA-N
XLogP1.77
TPSA144.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
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-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
CID 66920638
4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
CID 70924791
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
4-amino-5-cyano-6-ethoxy-N-phenylpyridine-2-carboxamide
CID 70924732
6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62239653
4-amino-5-cyano-6-ethoxy-N-[(4-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87227068
4-amino-2-ethoxy-6-[(4-methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 70924868
4-amino-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-chloro-5-cyanopyridine-2-carboxamide
CID 87205338

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide (CID 11522966) is 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is LUOTVHITZOCKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-2-25-16-12(8-17)13(18)7-14(20-16)15(22)19-9-10-3-5-11(6-4-10)21(23)24/h3-7H,2,9H2,1H3,(H2,18,20)(H,19,22).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 1.77, 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-nitrophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 11522966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).