N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide

C19H17ClN4O2 — CID 46890049

IUPACN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C1CNCC1c1cccnc1
InChIInChI=1S/C19H17ClN4O2/c20-16-7-13-11(3-5-23-18(13)25)6-17(16)24-19(26)15-10-22-9-14(15)12-2-1-4-21-8-12/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26)
InChIKeyFPYSFTPLUFNAKW-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.52
Rot. Bonds3

About N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide

N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 46890049) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID46890049
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C1CNCC1c1cccnc1
InChIInChI=1S/C19H17ClN4O2/c20-16-7-13-11(3-5-23-18(13)25)6-17(16)24-19(26)15-10-22-9-14(15)12-2-1-4-21-8-12/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26)
InChIKeyFPYSFTPLUFNAKW-UHFFFAOYSA-N
XLogP2.52
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)pyrrolidine-3-carboxamide
CID 46890650
(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
CID 59756651
(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
3-[(7-chloro-1-oxo-2H-isoquinolin-6-yl)amino]-3-oxo-2-phenylpropanoic acid
CID 59756559
(3R,4S)-4-(4-fluorophenyl)-N-isoquinolin-5-ylpyrrolidine-3-carboxamide
CID 156839080
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 59756654
(3R)-N-(1-chloroisoquinolin-5-yl)-4-phenylpyrrolidine-3-carboxamide
CID 166803737
2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-3-cyclohexylpropanamide
CID 68873926
(3S,4R)-N-(7-methylnaphthalen-1-yl)-4-phenylpyrrolidine-3-carboxamide
CID 158761407
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 135344396

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide (CID 46890049) is N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide is O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)C1CNCC1c1cccnc1.
What is the InChIKey of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is FPYSFTPLUFNAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-16-7-13-11(3-5-23-18(13)25)6-17(16)24-19(26)15-10-22-9-14(15)12-2-1-4-21-8-12/h1-8,14-15,22H,9-10H2,(H,23,25)(H,24,26).
What are the key properties of N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide?
N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-4-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46890049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).