methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate

C13H17ClN2O3 — CID 60716809

IUPACmethyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccnc(Cl)c1)C(=O)OC
InChIInChI=1S/C13H17ClN2O3/c1-4-8(2)11(13(18)19-3)16-12(17)9-5-6-15-10(14)7-9/h5-8,11H,4H2,1-3H3,(H,16,17)
InChIKeyOZUIIQYNXXOKIJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.05
Rot. Bonds5

About methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate

methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate (PubChem CID 60716809) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
PubChem CID60716809
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccnc(Cl)c1)C(=O)OC
InChIInChI=1S/C13H17ClN2O3/c1-4-8(2)11(13(18)19-3)16-12(17)9-5-6-15-10(14)7-9/h5-8,11H,4H2,1-3H3,(H,16,17)
InChIKeyOZUIIQYNXXOKIJ-UHFFFAOYSA-N
XLogP2.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
methyl 2-[(2-chloro-4-pyridinyl)sulfonylamino]-3-methylpentanoate
CID 61046444
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl (2S)-2-[3-[(2-chloropyridine-4-carbonyl)amino]propylamino]-3-methylbutanoate
CID 122154949
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
CID 114326241
methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-methylpentanoate
CID 59949573
2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 51258291
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
CID 106686124
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate (CID 60716809) is methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)c1ccnc(Cl)c1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate?
The InChIKey is OZUIIQYNXXOKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-4-8(2)11(13(18)19-3)16-12(17)9-5-6-15-10(14)7-9/h5-8,11H,4H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate?
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate has a molecular weight of 284.74 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate is sourced from PubChem (CID 60716809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).