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

C10H16N2O — CID 130778455

IUPAC3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c(C)cc1C
InChIInChI=1S/C10H16N2O/c1-4-5-11-10(13)9-7(2)6-8(3)12-9/h6,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyIYGMDNBQCUEJFG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.77
Rot. Bonds3

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

3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide (PubChem CID 130778455) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide
PubChem CID130778455
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1[nH]c(C)cc1C
InChIInChI=1S/C10H16N2O/c1-4-5-11-10(13)9-7(2)6-8(3)12-9/h6,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyIYGMDNBQCUEJFG-UHFFFAOYSA-N
XLogP1.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 45084349
3,5-dimethyl-N-prop-2-enyl-1H-pyrrole-2-carboxamide
CID 131086310
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 119628873
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-propylacetamide
CID 110773434
1-(3,5-dimethyl-1H-pyrrol-2-yl)butane-1,3-dione
CID 45116144
2,3,5-trimethyl-N-propylbenzamide
CID 66873398
6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
N-(2-aminocyclopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 130762927
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide
CID 148763117
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
3,5-dimethyl-N-[(3-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 167782072
N-butyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 71969971

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide (CID 130778455) is 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide is CCCNC(=O)c1[nH]c(C)cc1C.
What is the InChIKey of 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is IYGMDNBQCUEJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-11-10(13)9-7(2)6-8(3)12-9/h6,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide?
3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 130778455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).