N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide

C17H19N3O2 — CID 35032384

IUPACN-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESCc1cccnc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13-7-5-11-18-16(13)20-15(21)10-6-12-19-17(22)14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyWHSCXBQMIZIKMU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds6

About N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide

N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide (PubChem CID 35032384) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
PubChem CID35032384
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESCc1cccnc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13-7-5-11-18-16(13)20-15(21)10-6-12-19-17(22)14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyWHSCXBQMIZIKMU-UHFFFAOYSA-N
XLogP2.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
CID 126828105
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
N-[4-oxo-4-[(2-propan-2-ylpyrazol-3-yl)amino]butyl]benzamide
CID 30183656
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
CID 52668967
N-(4-oxopentyl)benzamide
CID 10798281

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide (CID 35032384) is N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide is Cc1cccnc1NC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The InChIKey is WHSCXBQMIZIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-7-5-11-18-16(13)20-15(21)10-6-12-19-17(22)14-8-3-2-4-9-14/h2-5,7-9,11H,6,10,12H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 35032384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).