N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide

C11H14ClN3O2 — CID 81226130

IUPACN-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCCC(N)=O)cn1
InChIInChI=1S/C11H14ClN3O2/c1-7-5-9(12)8(6-15-7)11(17)14-4-2-3-10(13)16/h5-6H,2-4H2,1H3,(H2,13,16)(H,14,17)
InChIKeyQTMVZTRCMDPVDR-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.04
Rot. Bonds5

About N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide

N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81226130) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81226130
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC NameN-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NCCCC(N)=O)cn1
InChIInChI=1S/C11H14ClN3O2/c1-7-5-9(12)8(6-15-7)11(17)14-4-2-3-10(13)16/h5-6H,2-4H2,1H3,(H2,13,16)(H,14,17)
InChIKeyQTMVZTRCMDPVDR-UHFFFAOYSA-N
XLogP1.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.04
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-decyl-6-methylpyridine-3-carboxamide
CID 81227523
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256346
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 106164845
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
CID 114036991
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81226552
N-(4-amino-4-oxobutyl)-5-bromo-2-chloropyridine-3-carboxamide
CID 62000055
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide (CID 81226130) is N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NCCCC(N)=O)cn1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is QTMVZTRCMDPVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-5-9(12)8(6-15-7)11(17)14-4-2-3-10(13)16/h5-6H,2-4H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide?
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).