4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide

C20H19N5O2 — CID 109208986

IUPAC4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C20H19N5O2/c26-14-24-9-11-25(12-10-24)16-6-8-21-18(13-16)20(27)23-17-5-1-3-15-4-2-7-22-19(15)17/h1-8,13-14H,9-12H2,(H,23,27)
InChIKeyUSDKMKJASNAWFO-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.16
Rot. Bonds4

About 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide

4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 109208986) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID109208986
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=CN1CCN(c2ccnc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C20H19N5O2/c26-14-24-9-11-25(12-10-24)16-6-8-21-18(13-16)20(27)23-17-5-1-3-15-4-2-7-22-19(15)17/h1-8,13-14H,9-12H2,(H,23,27)
InChIKeyUSDKMKJASNAWFO-UHFFFAOYSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
methanol;4-pyrrolidin-1-yl-N-quinolin-8-ylpyridine-2-carboxamide
CID 177001630
N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
4-(2-ethylpiperidin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218076
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide (CID 109208986) is 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide is O=CN1CCN(c2ccnc(C(=O)Nc3cccc4cccnc34)c2)CC1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is USDKMKJASNAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-14-24-9-11-25(12-10-24)16-6-8-21-18(13-16)20(27)23-17-5-1-3-15-4-2-7-22-19(15)17/h1-8,13-14H,9-12H2,(H,23,27).
What are the key properties of 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide?
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 109208986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).