methyl 2-(pyridine-3-carbonylamino)pentanoate

C12H16N2O3 — CID 123866102

IUPACmethyl 2-(pyridine-3-carbonylamino)pentanoate
SMILESCCCC(NC(=O)c1cccnc1)C(=O)OC
InChIInChI=1S/C12H16N2O3/c1-3-5-10(12(16)17-2)14-11(15)9-6-4-7-13-8-9/h4,6-8,10H,3,5H2,1-2H3,(H,14,15)
InChIKeyBDLCGCCQRZHGNG-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.15
Rot. Bonds5

About methyl 2-(pyridine-3-carbonylamino)pentanoate

methyl 2-(pyridine-3-carbonylamino)pentanoate (PubChem CID 123866102) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-(pyridine-3-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-(pyridine-3-carbonylamino)pentanoate
PubChem CID123866102
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-(pyridine-3-carbonylamino)pentanoate
SMILESCCCC(NC(=O)c1cccnc1)C(=O)OC
InChIInChI=1S/C12H16N2O3/c1-3-5-10(12(16)17-2)14-11(15)9-6-4-7-13-8-9/h4,6-8,10H,3,5H2,1-2H3,(H,14,15)
InChIKeyBDLCGCCQRZHGNG-UHFFFAOYSA-N
XLogP1.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methylsulfonyl-2-(pyridine-3-carbonylamino)butanoate
CID 141299622
chloro(iodo)methane;N-[(3S)-1-chloro-2-oxooctan-3-yl]pyridine-3-carboxamide;methane;methyl (2S)-2-(pyridine-3-carbonylamino)heptanoate
CID 160752070
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276
methyl (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(pyridine-3-carbonylamino)pentanoate
CID 155140357
N'-(2-methylpentanoyl)pyridine-3-carbohydrazide
CID 78780746
5-methoxy-2-(pyridine-3-carbonylamino)pentanoic acid
CID 81076986
methyl 3-(4-oxocyclohexen-1-yl)-2-(pyridine-3-carbonylamino)propanoate
CID 123721274
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
CID 102561066
methyl (2S)-3-[4-[(4-hydroxybenzoyl)amino]phenyl]-2-(pyridine-3-carbonylamino)propanoate
CID 102573921
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
(5S)-6-[(3S)-1-amino-1-oxohexadecan-3-yl]oxy-6-oxo-5-(pyridine-3-carbonylamino)hexanoic acid
CID 57299750

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridine-3-carbonylamino)pentanoate?
The IUPAC name of methyl 2-(pyridine-3-carbonylamino)pentanoate (CID 123866102) is methyl 2-(pyridine-3-carbonylamino)pentanoate.
What is the SMILES notation for methyl 2-(pyridine-3-carbonylamino)pentanoate?
The canonical SMILES for methyl 2-(pyridine-3-carbonylamino)pentanoate is CCCC(NC(=O)c1cccnc1)C(=O)OC.
What is the InChIKey of methyl 2-(pyridine-3-carbonylamino)pentanoate?
The InChIKey is BDLCGCCQRZHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-5-10(12(16)17-2)14-11(15)9-6-4-7-13-8-9/h4,6-8,10H,3,5H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(pyridine-3-carbonylamino)pentanoate?
methyl 2-(pyridine-3-carbonylamino)pentanoate has a molecular weight of 236.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridine-3-carbonylamino)pentanoate is sourced from PubChem (CID 123866102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).