methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate

C16H20N2O2 — CID 11608760

IUPACmethyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)OC)cc(C)n1Cc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-4-7-15-14(16(19)20-3)10-12(2)18(15)11-13-8-5-6-9-17-13/h5-6,8-10H,4,7,11H2,1-3H3
InChIKeyCPYZORFUOBDQMW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.98
Rot. Bonds5

About methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate

methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate (PubChem CID 11608760) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
PubChem CID11608760
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namemethyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
SMILESCCCc1c(C(=O)OC)cc(C)n1Cc1ccccn1
InChIInChI=1S/C16H20N2O2/c1-4-7-15-14(16(19)20-3)10-12(2)18(15)11-13-8-5-6-9-17-13/h5-6,8-10H,4,7,11H2,1-3H3
InChIKeyCPYZORFUOBDQMW-UHFFFAOYSA-N
XLogP2.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-1-(2-methylpropyl)-2-propylpyrrole-3-carboxylate
CID 11615623
N-ethyl-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 26337612
methyl 5-chloro-2-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxylate
CID 59362505
N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39887261
3-methylbutyl 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
CID 78863541
(2S)-2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]hexanoic acid
CID 120614143
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744
2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoic acid
CID 119348636
N-(2-methoxyethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42484940
N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78876055
6-methyl-4-oxo-2-(2-phenylethyl)-N-propan-2-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42472455
pyridin-3-ylmethyl 2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate
CID 87044291

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate (CID 11608760) is methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate is CCCc1c(C(=O)OC)cc(C)n1Cc1ccccn1.
What is the InChIKey of methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate?
The InChIKey is CPYZORFUOBDQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-7-15-14(16(19)20-3)10-12(2)18(15)11-13-8-5-6-9-17-13/h5-6,8-10H,4,7,11H2,1-3H3.
What are the key properties of methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate?
methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate is sourced from PubChem (CID 11608760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).