N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide

C19H23N5O3 — CID 46501939

IUPACN-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C19H23N5O3/c1-3-5-11-23(4-2)18-9-8-17(24(26)27)12-16(18)14-21-22-19(25)15-7-6-10-20-13-15/h6-10,12-14H,3-5,11H2,1-2H3,(H,22,25)/b21-14+
InChIKeyXKTNBVISOFJZPK-KGENOOAVSA-N
MW369.43 g/mol
LogP3.38
Rot. Bonds9

About N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 46501939) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID46501939
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C19H23N5O3/c1-3-5-11-23(4-2)18-9-8-17(24(26)27)12-16(18)14-21-22-19(25)15-7-6-10-20-13-15/h6-10,12-14H,3-5,11H2,1-2H3,(H,22,25)/b21-14+
InChIKeyXKTNBVISOFJZPK-KGENOOAVSA-N
XLogP3.38
TPSA100.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[[2-(diethylamino)-5-nitrophenyl]methylideneamino]benzamide
CID 4052966
N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 830822
N-[(Z)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6069398
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 126003279
2-[(4-chlorophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126002124
N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
CID 155812952
N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
CID 9060004
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-[2-(diethylamino)-5-nitrophenyl]methylideneamino]acetamide
CID 126003341
(NZ)-N-[[2-(diethylamino)-5-nitrophenyl]methylidene]hydroxylamine
CID 126012263
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide (CID 46501939) is N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide is CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccnc1.
What is the InChIKey of N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is XKTNBVISOFJZPK-KGENOOAVSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-3-5-11-23(4-2)18-9-8-17(24(26)27)12-16(18)14-21-22-19(25)15-7-6-10-20-13-15/h6-10,12-14H,3-5,11H2,1-2H3,(H,22,25)/b21-14+.
What are the key properties of N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 46501939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).