3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid

C22H25N5O3 — CID 159157477

IUPAC3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCN1CCCC1c1cccnc1.NC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C10H14N2.C6H6N2O.C6H5NO2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-6(9)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5/h2,4,6,8,10H,3,5,7H2,1H3;1-4H,(H2,7,9);1-4H,(H,8,9)
InChIKeyKKBNPXHQKMCZDZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.81
Rot. Bonds3

About 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid

3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid (PubChem CID 159157477) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid
PubChem CID159157477
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid
SMILESCN1CCCC1c1cccnc1.NC(=O)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C10H14N2.C6H6N2O.C6H5NO2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-6(9)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5/h2,4,6,8,10H,3,5,7H2,1H3;1-4H,(H2,7,9);1-4H,(H,8,9)
InChIKeyKKBNPXHQKMCZDZ-UHFFFAOYSA-N
XLogP2.81
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
2,2-dimethylpropanedioic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 138734026
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;3,4,5-trihydroxybenzoic acid
CID 135186900
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid (CID 159157477) is 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid is CN1CCCC1c1cccnc1.NC(=O)c1cccnc1.O=C(O)c1cccnc1.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid?
The InChIKey is KKBNPXHQKMCZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C6H6N2O.C6H5NO2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-6(9)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5/h2,4,6,8,10H,3,5,7H2,1H3;1-4H,(H2,7,9);1-4H,(H,8,9).
What are the key properties of 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid?
3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid is sourced from PubChem (CID 159157477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).