1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide

C17H23N3O2 — CID 5194686

IUPAC1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1CCCO
InChIInChI=1S/C17H23N3O2/c1-3-6-14-16(13-7-4-8-19-11-13)15(17(18)22)12(2)20(14)9-5-10-21/h4,7-8,11,21H,3,5-6,9-10H2,1-2H3,(H2,18,22)
InChIKeyPIAKKUCVFRFAQH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.29
Rot. Bonds7

About 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide

1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 5194686) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID5194686
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1CCCO
InChIInChI=1S/C17H23N3O2/c1-3-6-14-16(13-7-4-8-19-11-13)15(17(18)22)12(2)20(14)9-5-10-21/h4,7-8,11,21H,3,5-6,9-10H2,1-2H3,(H2,18,22)
InChIKeyPIAKKUCVFRFAQH-UHFFFAOYSA-N
XLogP2.29
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypropyl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3485149
1-(3-ethoxypropyl)-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3867010
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3415171
methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
CID 3766953
1-(3-hydroxypropyl)-2-methyl-4-(2-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 4678428
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3830805
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
4-(2-chlorophenyl)-1-(3-hydroxypropyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3857314
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide (CID 5194686) is 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide is CCCc1c(-c2cccnc2)c(C(N)=O)c(C)n1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is PIAKKUCVFRFAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-6-14-16(13-7-4-8-19-11-13)15(17(18)22)12(2)20(14)9-5-10-21/h4,7-8,11,21H,3,5-6,9-10H2,1-2H3,(H2,18,22).
What are the key properties of 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide?
1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-methyl-5-propyl-4-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 5194686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).