6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid

C20H19N5O3 — CID 121374564

IUPAC6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1C(=O)O
InChIInChI=1S/C20H19N5O3/c1-12-8-16(23-10-15(12)18(26)27)24-17-9-14(4-6-22-17)25-7-5-20(11-21,19(25)28)13-2-3-13/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,26,27)(H,22,23,24)/t20-/m1/s1
InChIKeyDSGUSNOXZAGKLC-HXUWFJFHSA-N
MW377.40 g/mol
LogP2.88
Rot. Bonds5

About 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid

6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid (PubChem CID 121374564) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
PubChem CID121374564
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1C(=O)O
InChIInChI=1S/C20H19N5O3/c1-12-8-16(23-10-15(12)18(26)27)24-17-9-14(4-6-22-17)25-7-5-20(11-21,19(25)28)13-2-3-13/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,26,27)(H,22,23,24)/t20-/m1/s1
InChIKeyDSGUSNOXZAGKLC-HXUWFJFHSA-N
XLogP2.88
TPSA119.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid 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
(3S)-3-cyclopropyl-1-[2-[[5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-4-methyl-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374584
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 121374389
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide
CID 121374375
N-[[2-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]methyl]acetamide
CID 121374516
(3S)-3-cyclopropyl-1-[2-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374363
(3S)-1-[2-[[5-(2-cyanopropan-2-yl)-2-pyridinyl]amino]-4-pyridinyl]-3-cyclopropyl-2-oxopyrrolidine-3-carbonitrile
CID 121374429
(3S)-3-cyclopropyl-1-[2-[[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374504
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 121374814
(3S)-3-cyclopropyl-1-[2-[[5-(oxan-4-yl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374438
3-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-1-(difluoromethyl)pyrazole-5-carboxylic acid;hydrochloride
CID 121374744
(3S)-3-cyclopropyl-1-[2-[[6-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
CID 121374614

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid (CID 121374564) is 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid is Cc1cc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)ncc1C(=O)O.
What is the InChIKey of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid?
The InChIKey is DSGUSNOXZAGKLC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12-8-16(23-10-15(12)18(26)27)24-17-9-14(4-6-22-17)25-7-5-20(11-21,19(25)28)13-2-3-13/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,26,27)(H,22,23,24)/t20-/m1/s1.
What are the key properties of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid?
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 121374564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).