N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

C24H22N4O3 — CID 56534476

IUPACN-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-22-11-9-21(10-12-22)28(15-5-13-25)24(30)18-6-3-8-20(16-18)27-23(29)19-7-4-14-26-17-19/h3-4,6-12,14,16-17H,2,5,15H2,1H3,(H,27,29)
InChIKeyMDJNTWFZRMVNGU-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.29
Rot. Bonds8

About N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 56534476) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID56534476
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-22-11-9-21(10-12-22)28(15-5-13-25)24(30)18-6-3-8-20(16-18)27-23(29)19-7-4-14-26-17-19/h3-4,6-12,14,16-17H,2,5,15H2,1H3,(H,27,29)
InChIKeyMDJNTWFZRMVNGU-UHFFFAOYSA-N
XLogP4.29
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633796
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572846
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17222007
N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 78862411
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 56534476) is N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MDJNTWFZRMVNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-31-22-11-9-21(10-12-22)28(15-5-13-25)24(30)18-6-3-8-20(16-18)27-23(29)19-7-4-14-26-17-19/h3-4,6-12,14,16-17H,2,5,15H2,1H3,(H,27,29).
What are the key properties of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 56534476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).