6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide

C16H27N5O — CID 72842931

IUPAC6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide
SMILESCCC[C@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1N(C)C
InChIInChI=1S/C16H27N5O/c1-6-7-12-10-21(11-14(12)19(2)3)15-9-17-8-13(18-15)16(22)20(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3/t12-,14-/m0/s1
InChIKeyZENHSKIPGPRNKF-JSGCOSHPSA-N
MW305.43 g/mol
LogP1.34
Rot. Bonds5

About 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide

6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 72842931) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID72842931
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide
SMILESCCC[C@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1N(C)C
InChIInChI=1S/C16H27N5O/c1-6-7-12-10-21(11-14(12)19(2)3)15-9-17-8-13(18-15)16(22)20(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3/t12-,14-/m0/s1
InChIKeyZENHSKIPGPRNKF-JSGCOSHPSA-N
XLogP1.34
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide (CID 72842931) is 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide is CCC[C@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1N(C)C.
What is the InChIKey of 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is ZENHSKIPGPRNKF-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H27N5O/c1-6-7-12-10-21(11-14(12)19(2)3)15-9-17-8-13(18-15)16(22)20(4)5/h8-9,12,14H,6-7,10-11H2,1-5H3/t12-,14-/m0/s1.
What are the key properties of 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide?
6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 72842931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).