N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide

C17H18Cl2N2O2 — CID 60596925

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-3-4-16(22)20-13-6-8-17(23)21(11-13)10-12-5-7-14(18)15(19)9-12/h5-9,11H,2-4,10H2,1H3,(H,20,22)
InChIKeyMQIBDPPPZSCUNK-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.33
Rot. Bonds6

About N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide

N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide (PubChem CID 60596925) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide
PubChem CID60596925
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-2-3-4-16(22)20-13-6-8-17(23)21(11-13)10-12-5-7-14(18)15(19)9-12/h5-9,11H,2-4,10H2,1H3,(H,20,22)
InChIKeyMQIBDPPPZSCUNK-UHFFFAOYSA-N
XLogP4.33
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
CID 71883323
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
N-(4-chloro-3-sulfanylphenyl)pentanamide
CID 4713020
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
CID 8698359
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide (CID 60596925) is N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide?
The InChIKey is MQIBDPPPZSCUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-2-3-4-16(22)20-13-6-8-17(23)21(11-13)10-12-5-7-14(18)15(19)9-12/h5-9,11H,2-4,10H2,1H3,(H,20,22).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide?
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide has a molecular weight of 353.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide is sourced from PubChem (CID 60596925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).