N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide

C27H25N5O2 — CID 55810075

IUPACN-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)CC2)nc1
InChIInChI=1S/C27H25N5O2/c1-18-6-7-25(29-17-18)31-26(33)20-10-14-32(15-11-20)27(34)22-16-24(19-8-12-28-13-9-19)30-23-5-3-2-4-21(22)23/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,29,31,33)
InChIKeySZLUIYGAIBKGKX-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.49
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide (PubChem CID 55810075) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
PubChem CID55810075
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)CC2)nc1
InChIInChI=1S/C27H25N5O2/c1-18-6-7-25(29-17-18)31-26(33)20-10-14-32(15-11-20)27(34)22-16-24(19-8-12-28-13-9-19)30-23-5-3-2-4-21(22)23/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,29,31,33)
InChIKeySZLUIYGAIBKGKX-UHFFFAOYSA-N
XLogP4.49
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
CID 78891005
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 39938186
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
N-(5-methyl-2-pyridinyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 55810051
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808184

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide (CID 55810075) is N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)nc4ccccc34)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is SZLUIYGAIBKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-18-6-7-25(29-17-18)31-26(33)20-10-14-32(15-11-20)27(34)22-16-24(19-8-12-28-13-9-19)30-23-5-3-2-4-21(22)23/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3,(H,29,31,33).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55810075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).