4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide

C19H18ClN5O — CID 46182544

IUPAC4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H18ClN5O/c20-16-4-2-7-22-18(16)24-9-11-25(12-10-24)19(26)23-17-5-1-3-14-13-21-8-6-15(14)17/h1-8,13H,9-12H2,(H,23,26)
InChIKeyOJKXTRTZTKKHHH-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.64
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide (PubChem CID 46182544) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
PubChem CID46182544
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H18ClN5O/c20-16-4-2-7-22-18(16)24-9-11-25(12-10-24)19(26)23-17-5-1-3-14-13-21-8-6-15(14)17/h1-8,13H,9-12H2,(H,23,26)
InChIKeyOJKXTRTZTKKHHH-UHFFFAOYSA-N
XLogP3.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 10067089
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97435446
N-isoquinolin-5-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 78871875
4-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]piperazine-1-carboxamide
CID 21037631
N-isoquinolin-5-ylimidazole-1-carboxamide
CID 81257687
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
N-benzhydryl-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037675
4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
CID 10194004
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
CID 47049591
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide (CID 46182544) is 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide is O=C(Nc1cccc2cnccc12)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide?
The InChIKey is OJKXTRTZTKKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-16-4-2-7-22-18(16)24-9-11-25(12-10-24)19(26)23-17-5-1-3-14-13-21-8-6-15(14)17/h1-8,13H,9-12H2,(H,23,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46182544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).