N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide

C21H20N4O2 — CID 11617449

IUPACN-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12
InChIInChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26)
InChIKeyXDAVPJKKUQBJRX-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide

N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide (PubChem CID 11617449) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide
PubChem CID11617449
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12
InChIInChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26)
InChIKeyXDAVPJKKUQBJRX-UHFFFAOYSA-N
XLogP3.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Lgh-447
CID 44814409
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benzo[c][1,5]naphthyridin-6(5H)-one
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2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
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XR-9577
CID 15950351
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3-aminobenzo[c][1,5]naphthyridin-6(5H)-one
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N-(2-phenylpropyl)quinoxaline-2-carboxamide
CID 22136331
N-(6-carbamoyl-3-pyridinyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143526
Indole-based 6-membered lactam, 3a
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide?
The IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide (CID 11617449) is N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide.
What is the SMILES notation for N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide?
The canonical SMILES for N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide is O=C(NCC1CCC1)c1ncccc1NC(=O)c1cccc2cnccc12.
What is the InChIKey of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide?
The InChIKey is XDAVPJKKUQBJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(17-7-2-6-15-13-22-11-9-16(15)17)25-18-8-3-10-23-19(18)21(27)24-12-14-4-1-5-14/h2-3,6-11,13-14H,1,4-5,12H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide?
N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]isoquinoline-5-carboxamide is sourced from PubChem (CID 11617449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).