N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide

C14H21ClN2O2 — CID 106117560

IUPACN-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-4-11(5-7-15)10-16-14(19)12-6-8-17(2)13(18)9-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,16,19)
InChIKeyFTNIGCNVYFLUNZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 106117560) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID106117560
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H21ClN2O2/c1-3-4-11(5-7-15)10-16-14(19)12-6-8-17(2)13(18)9-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,16,19)
InChIKeyFTNIGCNVYFLUNZ-UHFFFAOYSA-N
XLogP2.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N-[2-(2-chloroethyl)pentyl]-1-methylpyrazole-4-carboxamide
CID 106117785
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
CID 106117497
4,5-dibromo-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117550
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 106117560) is N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide is CCCC(CCCl)CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is FTNIGCNVYFLUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-4-11(5-7-15)10-16-14(19)12-6-8-17(2)13(18)9-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 106117560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).