5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one

C19H19ClN4O2 — CID 86343093

IUPAC5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one
SMILESCCC(=O)N1CC(Nc2cncc(N3Cc4cc(Cl)ccc4C3=O)c2)C1
InChIInChI=1S/C19H19ClN4O2/c1-2-18(25)23-10-15(11-23)22-14-6-16(8-21-7-14)24-9-12-5-13(20)3-4-17(12)19(24)26/h3-8,15,22H,2,9-11H2,1H3
InChIKeyYOICWQUHZUKZFB-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.93
Rot. Bonds4

About 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one

5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one (PubChem CID 86343093) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one
PubChem CID86343093
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one
SMILESCCC(=O)N1CC(Nc2cncc(N3Cc4cc(Cl)ccc4C3=O)c2)C1
InChIInChI=1S/C19H19ClN4O2/c1-2-18(25)23-10-15(11-23)22-14-6-16(8-21-7-14)24-9-12-5-13(20)3-4-17(12)19(24)26/h3-8,15,22H,2,9-11H2,1H3
InChIKeyYOICWQUHZUKZFB-UHFFFAOYSA-N
XLogP2.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[5-[(1-cyclopropylsulfonylazetidin-3-yl)amino]-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 86294701
2-[5-[(1-acetylazetidin-3-yl)methyl]-3-pyridinyl]-6-chloro-3,4-dihydroisoquinolin-1-one
CID 159556291
5-chloro-3,3-dimethyl-2-[5-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]amino]-3-pyridinyl]isoindol-1-one
CID 86294704
5-(6-chloro-3-oxo-1H-isoindol-2-yl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 172853148
2-[5-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)amino]-3-pyridinyl]-5-chloro-3,3-dimethylisoindol-1-one
CID 86343477
6-chloro-2-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]-3,4-dihydroisoquinolin-1-one
CID 86685963
4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide
CID 146222036
5-chloro-2-[3-(2-hydroxyethyl)phenyl]-3H-isoindol-1-one
CID 139350554
6-chloro-2-(5-methylsulfinyl-3-pyridinyl)-3,4-dihydroisoquinolin-1-one
CID 86685996
N-[4-(6-chloro-3-oxo-1H-isoindol-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]methanesulfonamide
CID 123283136
2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide
CID 142925205
6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
CID 133366599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one?
The IUPAC name of 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one (CID 86343093) is 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one?
The canonical SMILES for 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one is CCC(=O)N1CC(Nc2cncc(N3Cc4cc(Cl)ccc4C3=O)c2)C1.
What is the InChIKey of 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one?
The InChIKey is YOICWQUHZUKZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-18(25)23-10-15(11-23)22-14-6-16(8-21-7-14)24-9-12-5-13(20)3-4-17(12)19(24)26/h3-8,15,22H,2,9-11H2,1H3.
What are the key properties of 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one?
5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one has a molecular weight of 370.84 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-[(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 86343093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).