N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide

C23H23N3O3 — CID 113062582

IUPACN-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccnc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-18(27)26(15-14-25-23(28)20-8-5-13-24-16-20)21-9-11-22(12-10-21)29-17-19-6-3-2-4-7-19/h2-13,16H,14-15,17H2,1H3,(H,25,28)
InChIKeyHRGGIUUOWLAWPY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.44
Rot. Bonds8

About N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide

N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide (PubChem CID 113062582) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
PubChem CID113062582
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccnc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-18(27)26(15-14-25-23(28)20-8-5-13-24-16-20)21-9-11-22(12-10-21)29-17-19-6-3-2-4-7-19/h2-13,16H,14-15,17H2,1H3,(H,25,28)
InChIKeyHRGGIUUOWLAWPY-UHFFFAOYSA-N
XLogP3.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide
CID 113058717
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
CID 113059444
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
3,3-dimethyl-5-oxo-N-(4-phenylmethoxyphenyl)-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 3888053
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide (CID 113062582) is N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide is CC(=O)N(CCNC(=O)c1cccnc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is HRGGIUUOWLAWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-18(27)26(15-14-25-23(28)20-8-5-13-24-16-20)21-9-11-22(12-10-21)29-17-19-6-3-2-4-7-19/h2-13,16H,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide?
N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113062582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).