(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C13H13Cl2N5O — CID 124721637

IUPAC(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CC[C@@H](Nc3ncc(Cl)cc3Cl)C2=O)cn1
InChIInChI=1S/C13H13Cl2N5O/c1-19-7-9(6-17-19)20-3-2-11(13(20)21)18-12-10(15)4-8(14)5-16-12/h4-7,11H,2-3H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyAGMXSZWMMYGOKX-LLVKDONJSA-N
MW326.19 g/mol
LogP2.34
Rot. Bonds3

About (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 124721637) has the molecular formula C13H13Cl2N5O and a molecular weight of 326.19 g/mol. Its IUPAC name is (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID124721637
Molecular FormulaC13H13Cl2N5O
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC Name(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCn1cc(N2CC[C@@H](Nc3ncc(Cl)cc3Cl)C2=O)cn1
InChIInChI=1S/C13H13Cl2N5O/c1-19-7-9(6-17-19)20-3-2-11(13(20)21)18-12-10(15)4-8(14)5-16-12/h4-7,11H,2-3H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyAGMXSZWMMYGOKX-LLVKDONJSA-N
XLogP2.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one with MolForge

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Related Compounds

N-[4-chloro-2-[[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 124609460
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
3-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 126808811
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
(3S)-3-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101427
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 133304730
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
3-[(8-bromoquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133306340
5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64667801
3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 119128338

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 124721637) is (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cn1cc(N2CC[C@@H](Nc3ncc(Cl)cc3Cl)C2=O)cn1.
What is the InChIKey of (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is AGMXSZWMMYGOKX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13Cl2N5O/c1-19-7-9(6-17-19)20-3-2-11(13(20)21)18-12-10(15)4-8(14)5-16-12/h4-7,11H,2-3H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
(3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 326.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,5-dichloro-2-pyridinyl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 124721637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).