ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate

C15H22ClN3O3 — CID 42959637

IUPACethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(Cl)ccn1)CC(C)C
InChIInChI=1S/C15H22ClN3O3/c1-4-22-15(21)19-12(7-10(2)3)9-18-14(20)13-8-11(16)5-6-17-13/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyPUYKTSGVKNJNFK-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.63
Rot. Bonds7

About ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 42959637) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID42959637
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Nameethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1cc(Cl)ccn1)CC(C)C
InChIInChI=1S/C15H22ClN3O3/c1-4-22-15(21)19-12(7-10(2)3)9-18-14(20)13-8-11(16)5-6-17-13/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyPUYKTSGVKNJNFK-UHFFFAOYSA-N
XLogP2.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71560945

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate (CID 42959637) is ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1cc(Cl)ccn1)CC(C)C.
What is the InChIKey of ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is PUYKTSGVKNJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-4-22-15(21)19-12(7-10(2)3)9-18-14(20)13-8-11(16)5-6-17-13/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 327.81 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(4-chloropyridine-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 42959637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).