N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide

C21H22N6O2 — CID 121374516

IUPACN-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)c1
InChIInChI=1S/C21H22N6O2/c1-14(28)25-12-15-4-7-23-18(10-15)26-19-11-17(5-8-24-19)27-9-6-21(13-22,20(27)29)16-2-3-16/h4-5,7-8,10-11,16H,2-3,6,9,12H2,1H3,(H,25,28)(H,23,24,26)/t21-/m1/s1
InChIKeyLZLNYRDBVFYTBC-OAQYLSRUSA-N
MW390.45 g/mol
LogP2.51
Rot. Bonds6

About N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide

N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide (PubChem CID 121374516) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
PubChem CID121374516
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)c1
InChIInChI=1S/C21H22N6O2/c1-14(28)25-12-15-4-7-23-18(10-15)26-19-11-17(5-8-24-19)27-9-6-21(13-22,20(27)29)16-2-3-16/h4-5,7-8,10-11,16H,2-3,6,9,12H2,1H3,(H,25,28)(H,23,24,26)/t21-/m1/s1
InChIKeyLZLNYRDBVFYTBC-OAQYLSRUSA-N
XLogP2.51
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

(3S)-1-[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374873
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
CID 121374564
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(cyclopropylmethyl)-1-methylpyrazole-5-carboxamide
CID 121374628
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 121374633
(3S)-3-cyclopropyl-1-[2-[[6-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374614
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 121374375
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 121374389
2-[3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyrazol-1-yl]-N-methylacetamide;hydrochloride
CID 121374486
(3S)-3-cyclopropyl-1-[2-[[5-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374531
(3S)-1-[2-[[5-(2-cyanopropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374429
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-3-phenylpropanamide
CID 121374842

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide (CID 121374516) is N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide is CC(=O)NCc1ccnc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)c1.
What is the InChIKey of N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide?
The InChIKey is LZLNYRDBVFYTBC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14(28)25-12-15-4-7-23-18(10-15)26-19-11-17(5-8-24-19)27-9-6-21(13-22,20(27)29)16-2-3-16/h4-5,7-8,10-11,16H,2-3,6,9,12H2,1H3,(H,25,28)(H,23,24,26)/t21-/m1/s1.
What are the key properties of N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide?
N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121374516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).