methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate

C18H21N3O3 — CID 3736082

IUPACmethyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
SMILESCOC(=O)CCc1c(-c2cccnc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C18H21N3O3/c1-11-16(18(19)23)17(12-4-3-9-20-10-12)14(7-8-15(22)24-2)21(11)13-5-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H2,19,23)
InChIKeySJWIFYMXCGFQOK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.40
Rot. Bonds6

About methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate

methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate (PubChem CID 3736082) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
PubChem CID3736082
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
SMILESCOC(=O)CCc1c(-c2cccnc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C18H21N3O3/c1-11-16(18(19)23)17(12-4-3-9-20-10-12)14(7-8-15(22)24-2)21(11)13-5-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H2,19,23)
InChIKeySJWIFYMXCGFQOK-UHFFFAOYSA-N
XLogP2.40
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-cyclopropyl-5-methylpyrrol-2-yl]propanoate
CID 3685626
methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
CID 3766953
1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3787279
1-(2,3-dihydro-1H-inden-1-yl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3679809
5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3791738
1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 5194686
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
1-(3-hydroxypropyl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3485149
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethylacetamide
CID 8917020

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate?
The IUPAC name of methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate (CID 3736082) is methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate?
The canonical SMILES for methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate is COC(=O)CCc1c(-c2cccnc2)c(C(N)=O)c(C)n1C1CC1.
What is the InChIKey of methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate?
The InChIKey is SJWIFYMXCGFQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-16(18(19)23)17(12-4-3-9-20-10-12)14(7-8-15(22)24-2)21(11)13-5-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H2,19,23).
What are the key properties of methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate?
methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate has a molecular weight of 327.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate is sourced from PubChem (CID 3736082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).