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

C19H23N3O2 — CID 113058717

IUPACN-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccnc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)16-6-8-18(9-7-16)22(15(3)23)12-11-21-19(24)17-5-4-10-20-13-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyNZUKMODIFJJZIO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.99
Rot. Bonds6

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

N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 113058717) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide
PubChem CID113058717
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccnc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)16-6-8-18(9-7-16)22(15(3)23)12-11-21-19(24)17-5-4-10-20-13-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)
InChIKeyNZUKMODIFJJZIO-UHFFFAOYSA-N
XLogP2.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
CID 113062582
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
CID 113059444
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
CID 108926615
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]-3-phenylpropanamide
CID 113058709
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide (CID 113058717) is N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide is CC(=O)N(CCNC(=O)c1cccnc1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is NZUKMODIFJJZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)16-6-8-18(9-7-16)22(15(3)23)12-11-21-19(24)17-5-4-10-20-13-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide?
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113058717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).