2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate

C10H13ClN4O3 — CID 83215751

IUPAC2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
SMILESCNc1ncc(C(=O)NCCOC(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN4O3/c1-13-8-7(11)4-6(5-15-8)9(16)14-2-3-18-10(12)17/h4-5H,2-3H2,1H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyNRNICNXBWCFJHB-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.60
Rot. Bonds5

About 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate

2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate (PubChem CID 83215751) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
PubChem CID83215751
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
SMILESCNc1ncc(C(=O)NCCOC(N)=O)cc1Cl
InChIInChI=1S/C10H13ClN4O3/c1-13-8-7(11)4-6(5-15-8)9(16)14-2-3-18-10(12)17/h4-5H,2-3H2,1H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyNRNICNXBWCFJHB-UHFFFAOYSA-N
XLogP0.60
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106280091
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62312710
N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106098399
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate?
The IUPAC name of 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate (CID 83215751) is 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate is CNc1ncc(C(=O)NCCOC(N)=O)cc1Cl.
What is the InChIKey of 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate?
The InChIKey is NRNICNXBWCFJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-13-8-7(11)4-6(5-15-8)9(16)14-2-3-18-10(12)17/h4-5H,2-3H2,1H3,(H2,12,17)(H,13,15)(H,14,16).
What are the key properties of 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate?
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate has a molecular weight of 272.69 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate is sourced from PubChem (CID 83215751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).