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

C20H25N7O2 — CID 144842079

IUPACN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide
SMILESCc1cnn(C2=CC=CC(C(=O)Nc3cn(C)nc3N3CCC(C)(C)C3=O)N2)c1
InChIInChI=1S/C20H25N7O2/c1-13-10-21-27(11-13)16-7-5-6-14(22-16)18(28)23-15-12-25(4)24-17(15)26-9-8-20(2,3)19(26)29/h5-7,10-12,14,22H,8-9H2,1-4H3,(H,23,28)
InChIKeyUJYLRACNPSRRDU-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.65
Rot. Bonds4

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

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide (PubChem CID 144842079) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide
PubChem CID144842079
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide
SMILESCc1cnn(C2=CC=CC(C(=O)Nc3cn(C)nc3N3CCC(C)(C)C3=O)N2)c1
InChIInChI=1S/C20H25N7O2/c1-13-10-21-27(11-13)16-7-5-6-14(22-16)18(28)23-15-12-25(4)24-17(15)26-9-8-20(2,3)19(26)29/h5-7,10-12,14,22H,8-9H2,1-4H3,(H,23,28)
InChIKeyUJYLRACNPSRRDU-UHFFFAOYSA-N
XLogP1.65
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide (CID 144842079) is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide is Cc1cnn(C2=CC=CC(C(=O)Nc3cn(C)nc3N3CCC(C)(C)C3=O)N2)c1.
What is the InChIKey of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide?
The InChIKey is UJYLRACNPSRRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13-10-21-27(11-13)16-7-5-6-14(22-16)18(28)23-15-12-25(4)24-17(15)26-9-8-20(2,3)19(26)29/h5-7,10-12,14,22H,8-9H2,1-4H3,(H,23,28).
What are the key properties of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide?
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-6-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.65, 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-(4-methylpyrazol-1-yl)-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 144842079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).