4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide

C17H18ClN3O2 — CID 18106807

IUPAC4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESCc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-12-4-9-15(20-11-12)21-16(22)3-2-10-19-17(23)13-5-7-14(18)8-6-13/h4-9,11H,2-3,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyNDTHCKZJNYBFEV-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide

4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide (PubChem CID 18106807) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
PubChem CID18106807
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESCc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-12-4-9-15(20-11-12)21-16(22)3-2-10-19-17(23)13-5-7-14(18)8-6-13/h4-9,11H,2-3,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyNDTHCKZJNYBFEV-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.19
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-Aminobenzamidopyridine
CID 81976
N-(pyridin-2-yl)benzamide
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Piketoprofen
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4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
N-Benzoyl-N'-(2-pyridinyl)thiourea
CID 708470
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
3-(2,6-Dichlorophenyl)-1-methyl-7-(methylamino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328701
3-(2,6-Dichlorophenyl)-7-{[3-(diethylamino)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328704
3-(2,6-Dichlorophenyl)-7-{[4-(diethylamino)butyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328705
3-(2,6-Dichlorophenyl)-7-{[5-(diethylamino)pentyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328706
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide (CID 18106807) is 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide is Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The InChIKey is NDTHCKZJNYBFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-4-9-15(20-11-12)21-16(22)3-2-10-19-17(23)13-5-7-14(18)8-6-13/h4-9,11H,2-3,10H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(5-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 18106807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).