N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

C20H25N7O3 — CID 118061324

IUPACN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(N3CCNC(=O)C3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C20H25N7O3/c1-20(2)7-9-27(19(20)30)17-14(11-25(3)24-17)23-18(29)13-5-4-6-15(22-13)26-10-8-21-16(28)12-26/h4-6,11H,7-10,12H2,1-3H3,(H,21,28)(H,23,29)
InChIKeyDWRIXRGYNASVBU-UHFFFAOYSA-N
MW411.47 g/mol
LogP0.77
Rot. Bonds4

About N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 118061324) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
PubChem CID118061324
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(N3CCNC(=O)C3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C20H25N7O3/c1-20(2)7-9-27(19(20)30)17-14(11-25(3)24-17)23-18(29)13-5-4-6-15(22-13)26-10-8-21-16(28)12-26/h4-6,11H,7-10,12H2,1-3H3,(H,21,28)(H,23,29)
InChIKeyDWRIXRGYNASVBU-UHFFFAOYSA-N
XLogP0.77
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-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

Related Compounds

6-[4-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]pyridine-2-carboxamide
CID 118061205
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 118060953
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]pyridine-2-carboxamide
CID 118062961
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 118061161
2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 118061263
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118061048
4-[6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 80763941
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-imino-4-methyliminobutanamide
CID 123364303
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 84573739
1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile
CID 166385641

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (CID 118061324) is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(N3CCNC(=O)C3)n2)c(N2CCC(C)(C)C2=O)n1.
What is the InChIKey of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is DWRIXRGYNASVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-20(2)7-9-27(19(20)30)17-14(11-25(3)24-17)23-18(29)13-5-4-6-15(22-13)26-10-8-21-16(28)12-26/h4-6,11H,7-10,12H2,1-3H3,(H,21,28)(H,23,29).
What are the key properties of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118061324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).