2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide

C20H23N7O2 — CID 131934853

IUPAC2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)C(Cc2cnc[nH]2)n2cccc2)CC1
InChIInChI=1S/C20H23N7O2/c21-18(28)16-4-3-5-23-19(16)26-8-10-27(11-9-26)20(29)17(25-6-1-2-7-25)12-15-13-22-14-24-15/h1-7,13-14,17H,8-12H2,(H2,21,28)(H,22,24)
InChIKeyDQJCTBOODZHXMI-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.84
Rot. Bonds6

About 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 131934853) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID131934853
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C(=O)C(Cc2cnc[nH]2)n2cccc2)CC1
InChIInChI=1S/C20H23N7O2/c21-18(28)16-4-3-5-23-19(16)26-8-10-27(11-9-26)20(29)17(25-6-1-2-7-25)12-15-13-22-14-24-15/h1-7,13-14,17H,8-12H2,(H2,21,28)(H,22,24)
InChIKeyDQJCTBOODZHXMI-UHFFFAOYSA-N
XLogP0.84
TPSA113.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide 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

2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 119850197
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110697892
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 60998121
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 132968653
2-[4-(1-pyrazin-2-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 154799825
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 155943283

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide (CID 131934853) is 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(C(=O)C(Cc2cnc[nH]2)n2cccc2)CC1.
What is the InChIKey of 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is DQJCTBOODZHXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c21-18(28)16-4-3-5-23-19(16)26-8-10-27(11-9-26)20(29)17(25-6-1-2-7-25)12-15-13-22-14-24-15/h1-7,13-14,17H,8-12H2,(H2,21,28)(H,22,24).
What are the key properties of 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-imidazol-5-yl)-2-pyrrol-1-ylpropanoyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131934853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).