N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide

C27H25N5O2 — CID 55931994

IUPACN-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cc(-c4cccnc4)nc4ccccc34)C2)nc1
InChIInChI=1S/C27H25N5O2/c1-18-10-11-25(29-15-18)31-26(33)20-7-5-13-32(17-20)27(34)22-14-24(19-6-4-12-28-16-19)30-23-9-3-2-8-21(22)23/h2-4,6,8-12,14-16,20H,5,7,13,17H2,1H3,(H,29,31,33)
InChIKeyPXFZRCZWIOKJBF-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.49
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide

N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide (PubChem CID 55931994) 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-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
PubChem CID55931994
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3cc(-c4cccnc4)nc4ccccc34)C2)nc1
InChIInChI=1S/C27H25N5O2/c1-18-10-11-25(29-15-18)31-26(33)20-7-5-13-32(17-20)27(34)22-14-24(19-6-4-12-28-16-19)30-23-9-3-2-8-21(22)23/h2-4,6,8-12,14-16,20H,5,7,13,17H2,1H3,(H,29,31,33)
InChIKeyPXFZRCZWIOKJBF-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

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Related Compounds

N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55810075
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
1-(1-methyl-2-oxoquinoline-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809832
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97252606
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide (CID 55931994) is N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3cc(-c4cccnc4)nc4ccccc34)C2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is PXFZRCZWIOKJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-18-10-11-25(29-15-18)31-26(33)20-7-5-13-32(17-20)27(34)22-14-24(19-6-4-12-28-16-19)30-23-9-3-2-8-21(22)23/h2-4,6,8-12,14-16,20H,5,7,13,17H2,1H3,(H,29,31,33).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide?
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-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-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55931994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).