N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate

C10H11ClN3O3- — CID 21297320

IUPACN-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate
SMILESCc1c(Cl)ccnc1C(=O)NCCNC(=O)[O-]
InChIInChI=1S/C10H12ClN3O3/c1-6-7(11)2-3-12-8(6)9(15)13-4-5-14-10(16)17/h2-3,14H,4-5H2,1H3,(H,13,15)(H,16,17)/p-1
InChIKeyAGJHCDHYUSAHPJ-UHFFFAOYSA-M
MW256.67 g/mol
LogP-0.29
Rot. Bonds4

About N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate

N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate (PubChem CID 21297320) has the molecular formula C10H11ClN3O3- and a molecular weight of 256.67 g/mol. Its IUPAC name is N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate
PubChem CID21297320
Molecular FormulaC10H11ClN3O3-
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC NameN-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate
SMILESCc1c(Cl)ccnc1C(=O)NCCNC(=O)[O-]
InChIInChI=1S/C10H12ClN3O3/c1-6-7(11)2-3-12-8(6)9(15)13-4-5-14-10(16)17/h2-3,14H,4-5H2,1H3,(H,13,15)(H,16,17)/p-1
InChIKeyAGJHCDHYUSAHPJ-UHFFFAOYSA-M
XLogP-0.29
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
3,4-dichloro-N-ethylpyridine-2-carboxamide
CID 123182063
N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 19768839
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
CID 110853490
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47049468
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylate
CID 6974189
4-chloro-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 143276027
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide
CID 23566888
2-chloro-3-methylpyridin-4-amine;methyl 4-amino-3-methylpyridine-2-carboxylate
CID 165095154
N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 19768576

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate (CID 21297320) is N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate is Cc1c(Cl)ccnc1C(=O)NCCNC(=O)[O-].
What is the InChIKey of N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is AGJHCDHYUSAHPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12ClN3O3/c1-6-7(11)2-3-12-8(6)9(15)13-4-5-14-10(16)17/h2-3,14H,4-5H2,1H3,(H,13,15)(H,16,17)/p-1.
What are the key properties of N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate?
N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 256.67 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 21297320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).