5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide

C24H21N5O2 — CID 58548515

IUPAC5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C24H21N5O2/c25-23(30)21-9-7-16(14-27-21)19-5-3-11-26-24(19)31-18-12-17(13-18)28-22-10-8-15-4-1-2-6-20(15)29-22/h1-11,14,17-18H,12-13H2,(H2,25,30)(H,28,29)
InChIKeyUPQIKAIFCRQKSJ-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.81
Rot. Bonds6

About 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide

5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 58548515) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide
PubChem CID58548515
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1
InChIInChI=1S/C24H21N5O2/c25-23(30)21-9-7-16(14-27-21)19-5-3-11-26-24(19)31-18-12-17(13-18)28-22-10-8-15-4-1-2-6-20(15)29-22/h1-11,14,17-18H,12-13H2,(H2,25,30)(H,28,29)
InChIKeyUPQIKAIFCRQKSJ-UHFFFAOYSA-N
XLogP3.81
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

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1-[4-[2-[3-(Quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
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CID 57394291
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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide (CID 58548515) is 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2cccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1.
What is the InChIKey of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is UPQIKAIFCRQKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-23(30)21-9-7-16(14-27-21)19-5-3-11-26-24(19)31-18-12-17(13-18)28-22-10-8-15-4-1-2-6-20(15)29-22/h1-11,14,17-18H,12-13H2,(H2,25,30)(H,28,29).
What are the key properties of 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide?
5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 58548515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).