N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide

C19H20Cl2N4O3 — CID 55963098

IUPACN-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESCCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-4-16(26)25-17-14(9-13(20)10-15(17)21)19(28)24-8-7-23-18(27)12-5-3-6-22-11-12/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyZBWSFIKLLPUWFE-UHFFFAOYSA-N
MW423.30 g/mol
LogP3.29
Rot. Bonds8

About N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 55963098) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID55963098
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC NameN-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESCCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C19H20Cl2N4O3/c1-2-4-16(26)25-17-14(9-13(20)10-15(17)21)19(28)24-8-7-23-18(27)12-5-3-6-22-11-12/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyZBWSFIKLLPUWFE-UHFFFAOYSA-N
XLogP3.29
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N'-(2,4,6-trichlorophenyl)pyridine-3-carbohydrazide
CID 47099649
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-[[N'-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 109464429
N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide
CID 16776804
2-(butanoylamino)-3,5-dichloro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 60544444
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 39578256
1,3-dichloro-2-(2,6-dichlorophenoxy)benzene;N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 70416673

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide (CID 55963098) is N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide is CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is ZBWSFIKLLPUWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-2-4-16(26)25-17-14(9-13(20)10-15(17)21)19(28)24-8-7-23-18(27)12-5-3-6-22-11-12/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 423.30 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(butanoylamino)-3,5-dichlorobenzoyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55963098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).