2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide

C15H11ClN4O — CID 114922399

IUPAC2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2cccc3cnccc23)c(Cl)cn1
InChIInChI=1S/C15H11ClN4O/c16-12-8-19-14(17)6-11(12)15(21)20-13-3-1-2-9-7-18-5-4-10(9)13/h1-8H,(H2,17,19)(H,20,21)
InChIKeySZMFBLSRBOZPST-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.12
Rot. Bonds2

About 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide

2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide (PubChem CID 114922399) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide
PubChem CID114922399
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2cccc3cnccc23)c(Cl)cn1
InChIInChI=1S/C15H11ClN4O/c16-12-8-19-14(17)6-11(12)15(21)20-13-3-1-2-9-7-18-5-4-10(9)13/h1-8H,(H2,17,19)(H,20,21)
InChIKeySZMFBLSRBOZPST-UHFFFAOYSA-N
XLogP3.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-chloro-N-naphthalen-1-ylpyridine-4-carboxamide
CID 114921449
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
2-chloro-N-isoquinolin-5-ylfuran-3-carboxamide
CID 106685472
2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide
CID 62159599
4-tert-butyl-2-chloro-N-isoquinolin-5-ylbenzamide
CID 70931135
2-amino-5-chloro-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923980
2-amino-3-fluoro-N-isoquinolin-5-ylpyridine-4-carboxamide
CID 105385052
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
2-amino-5-chloro-N-(2-chloro-4-iodophenyl)pyridine-4-carboxamide
CID 107606018
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
2-amino-5-chloro-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107589913
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide (CID 114922399) is 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide is Nc1cc(C(=O)Nc2cccc3cnccc23)c(Cl)cn1.
What is the InChIKey of 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide?
The InChIKey is SZMFBLSRBOZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-8-19-14(17)6-11(12)15(21)20-13-3-1-2-9-7-18-5-4-10(9)13/h1-8H,(H2,17,19)(H,20,21).
What are the key properties of 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide?
2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide is sourced from PubChem (CID 114922399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).