6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide

C21H22FN5O — CID 75100226

IUPAC6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C3CNNC3)nc3ccc(F)cc23)cn1
InChIInChI=1S/C21H22FN5O/c1-12-3-4-14(9-23-12)13(2)26-21(28)18-8-20(15-10-24-25-11-15)27-19-6-5-16(22)7-17(18)19/h3-9,13,15,24-25H,10-11H2,1-2H3,(H,26,28)
InChIKeyNLBDBPNQUDRGMJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.76
Rot. Bonds4

About 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide

6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide (PubChem CID 75100226) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide
PubChem CID75100226
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C3CNNC3)nc3ccc(F)cc23)cn1
InChIInChI=1S/C21H22FN5O/c1-12-3-4-14(9-23-12)13(2)26-21(28)18-8-20(15-10-24-25-11-15)27-19-6-5-16(22)7-17(18)19/h3-9,13,15,24-25H,10-11H2,1-2H3,(H,26,28)
InChIKeyNLBDBPNQUDRGMJ-UHFFFAOYSA-N
XLogP2.76
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 17406063
N-(1-fluoro-3-phenylpropan-2-yl)-2-pyrazolidin-4-ylquinoline-4-carboxamide
CID 75101095
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120602484
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide (CID 75100226) is 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(C3CNNC3)nc3ccc(F)cc23)cn1.
What is the InChIKey of 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide?
The InChIKey is NLBDBPNQUDRGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-12-3-4-14(9-23-12)13(2)26-21(28)18-8-20(15-10-24-25-11-15)27-19-6-5-16(22)7-17(18)19/h3-9,13,15,24-25H,10-11H2,1-2H3,(H,26,28).
What are the key properties of 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide?
6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(6-methyl-3-pyridinyl)ethyl]-2-pyrazolidin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 75100226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).