(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C22H21FN4O2 — CID 97252606

IUPAC(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(F)cc4cccnc34)C2)nc1
InChIInChI=1S/C22H21FN4O2/c1-14-6-7-19(25-12-14)26-21(28)16-5-3-9-27(13-16)22(29)18-11-17(23)10-15-4-2-8-24-20(15)18/h2,4,6-8,10-12,16H,3,5,9,13H2,1H3,(H,25,26,28)/t16-/m0/s1
InChIKeyLQSCEMJEBNDXJG-INIZCTEOSA-N
MW392.43 g/mol
LogP3.57
Rot. Bonds3

About (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 97252606) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID97252606
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(F)cc4cccnc34)C2)nc1
InChIInChI=1S/C22H21FN4O2/c1-14-6-7-19(25-12-14)26-21(28)16-5-3-9-27(13-16)22(29)18-11-17(23)10-15-4-2-8-24-20(15)18/h2,4,6-8,10-12,16H,3,5,9,13H2,1H3,(H,25,26,28)/t16-/m0/s1
InChIKeyLQSCEMJEBNDXJG-INIZCTEOSA-N
XLogP3.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120643645
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994
1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55808746
1-(1-methyl-2-oxoquinoline-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809832
(6-fluoroquinolin-8-yl)-(3-methylazetidin-1-yl)methanone
CID 166218123
(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94667048
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 97252606) is (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(F)cc4cccnc34)C2)nc1.
What is the InChIKey of (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is LQSCEMJEBNDXJG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-14-6-7-19(25-12-14)26-21(28)16-5-3-9-27(13-16)22(29)18-11-17(23)10-15-4-2-8-24-20(15)18/h2,4,6-8,10-12,16H,3,5,9,13H2,1H3,(H,25,26,28)/t16-/m0/s1.
What are the key properties of (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 97252606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).