N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide

C21H20N4O2 — CID 11610189

IUPACN-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26)
InChIKeyNQPGPOHDYDEIQR-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide

N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide (PubChem CID 11610189) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide
PubChem CID11610189
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide
SMILESO=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26)
InChIKeyNQPGPOHDYDEIQR-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide (CID 11610189) is N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide is O=C(NCC1CCC1)c1ncccc1NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide?
The InChIKey is NQPGPOHDYDEIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(16-10-12-22-17-8-2-1-7-15(16)17)25-18-9-4-11-23-19(18)21(27)24-13-14-5-3-6-14/h1-2,4,7-12,14H,3,5-6,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-carboxamide?
N-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]quinoline-4-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]quinoline-4-carboxamide is sourced from PubChem (CID 11610189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).