N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide

C19H15N5O2 — CID 56812625

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(NCc1cccnc1-n1ccnc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H15N5O2/c25-18-15-6-2-1-4-13(15)10-16(23-18)19(26)22-11-14-5-3-7-21-17(14)24-9-8-20-12-24/h1-10,12H,11H2,(H,22,26)(H,23,25)
InChIKeyJYLGYWHRLGIIFR-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.04
Rot. Bonds4

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 56812625) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID56812625
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(NCc1cccnc1-n1ccnc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H15N5O2/c25-18-15-6-2-1-4-13(15)10-16(23-18)19(26)22-11-14-5-3-7-21-17(14)24-9-8-20-12-24/h1-10,12H,11H2,(H,22,26)(H,23,25)
InChIKeyJYLGYWHRLGIIFR-UHFFFAOYSA-N
XLogP2.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 56812625) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide is O=C(NCc1cccnc1-n1ccnc1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is JYLGYWHRLGIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18-15-6-2-1-4-13(15)10-16(23-18)19(26)22-11-14-5-3-7-21-17(14)24-9-8-20-12-24/h1-10,12H,11H2,(H,22,26)(H,23,25).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 56812625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).