N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide

C15H25N3O — CID 131947055

IUPACN-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(C)(C)C)C2)ccn1C
InChIInChI=1S/C15H25N3O/c1-11-13(7-8-17(11)5)14(19)16-12-6-9-18(10-12)15(2,3)4/h7-8,12H,6,9-10H2,1-5H3,(H,16,19)
InChIKeySKEDHSWNRWTLQR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.94
Rot. Bonds2

About N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide

N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide (PubChem CID 131947055) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide
PubChem CID131947055
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(C)(C)C)C2)ccn1C
InChIInChI=1S/C15H25N3O/c1-11-13(7-8-17(11)5)14(19)16-12-6-9-18(10-12)15(2,3)4/h7-8,12H,6,9-10H2,1-5H3,(H,16,19)
InChIKeySKEDHSWNRWTLQR-UHFFFAOYSA-N
XLogP1.94
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933
N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481590
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
N-(1-tert-butylpiperidin-4-yl)-4-(2,2-dimethylpropanoyl)benzamide
CID 170668441
5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide (CID 131947055) is N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide is Cc1c(C(=O)NC2CCN(C(C)(C)C)C2)ccn1C.
What is the InChIKey of N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide?
The InChIKey is SKEDHSWNRWTLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-13(7-8-17(11)5)14(19)16-12-6-9-18(10-12)15(2,3)4/h7-8,12H,6,9-10H2,1-5H3,(H,16,19).
What are the key properties of N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide?
N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrrolidin-3-yl)-1,2-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 131947055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).