methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate

C10H12ClN3O3 — CID 75393221

IUPACmethyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H12ClN3O3/c1-6(13-10(16)17-2)9(15)14-8-5-7(11)3-4-12-8/h3-6H,1-2H3,(H,13,16)(H,12,14,15)/t6-/m0/s1
InChIKeyWCBCLUMYZMAYOC-LURJTMIESA-N
MW257.68 g/mol
LogP1.42
Rot. Bonds3

About methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate

methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 75393221) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID75393221
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Namemethyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H12ClN3O3/c1-6(13-10(16)17-2)9(15)14-8-5-7(11)3-4-12-8/h3-6H,1-2H3,(H,13,16)(H,12,14,15)/t6-/m0/s1
InChIKeyWCBCLUMYZMAYOC-LURJTMIESA-N
XLogP1.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-methylbutanamide
CID 115626778
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
N-(4-chloro-2-pyridinyl)-3-methylpentanamide
CID 114877777
N-(4-chloro-2-pyridinyl)-4-methoxypent-4-enamide
CID 123816507
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide
CID 114052256
N-(4-chloro-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 115883719

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate (CID 75393221) is methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate is COC(=O)N[C@@H](C)C(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is WCBCLUMYZMAYOC-LURJTMIESA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-6(13-10(16)17-2)9(15)14-8-5-7(11)3-4-12-8/h3-6H,1-2H3,(H,13,16)(H,12,14,15)/t6-/m0/s1.
What are the key properties of methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 257.68 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 75393221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).