1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide

C21H31N3O2 — CID 3867010

IUPAC1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C21H31N3O2/c1-4-6-7-11-18-20(17-10-8-12-23-15-17)19(21(22)25)16(3)24(18)13-9-14-26-5-2/h8,10,12,15H,4-7,9,11,13-14H2,1-3H3,(H2,22,25)
InChIKeyUMBMPRYZWVEYQT-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.12
Rot. Bonds11

About 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide

1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 3867010) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID3867010
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C21H31N3O2/c1-4-6-7-11-18-20(17-10-8-12-23-15-17)19(21(22)25)16(3)24(18)13-9-14-26-5-2/h8,10,12,15H,4-7,9,11,13-14H2,1-3H3,(H2,22,25)
InChIKeyUMBMPRYZWVEYQT-UHFFFAOYSA-N
XLogP4.12
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 5194686
1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3415171
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
1-(3-hydroxypropyl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3485149
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
1-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 3828892
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide (CID 3867010) is 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide is CCCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1CCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is UMBMPRYZWVEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-4-6-7-11-18-20(17-10-8-12-23-15-17)19(21(22)25)16(3)24(18)13-9-14-26-5-2/h8,10,12,15H,4-7,9,11,13-14H2,1-3H3,(H2,22,25).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide?
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3867010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).