3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide

C14H23N3O — CID 167918992

IUPAC3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
SMILESCCCN(C(=O)c1[nH]c(C)cc1C)C1CCNC1
InChIInChI=1S/C14H23N3O/c1-4-7-17(12-5-6-15-9-12)14(18)13-10(2)8-11(3)16-13/h8,12,15-16H,4-7,9H2,1-3H3
InChIKeyZTYWOIHAJJFWJO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.85
Rot. Bonds4

About 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide

3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 167918992) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
PubChem CID167918992
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
SMILESCCCN(C(=O)c1[nH]c(C)cc1C)C1CCNC1
InChIInChI=1S/C14H23N3O/c1-4-7-17(12-5-6-15-9-12)14(18)13-10(2)8-11(3)16-13/h8,12,15-16H,4-7,9H2,1-3H3
InChIKeyZTYWOIHAJJFWJO-UHFFFAOYSA-N
XLogP1.85
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
5-methyl-2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119532741
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide (CID 167918992) is 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide is CCCN(C(=O)c1[nH]c(C)cc1C)C1CCNC1.
What is the InChIKey of 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is ZTYWOIHAJJFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-17(12-5-6-15-9-12)14(18)13-10(2)8-11(3)16-13/h8,12,15-16H,4-7,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide?
3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167918992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).