1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H20BrN5O — CID 87021145

IUPAC1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncnc4ccc(Br)cc34)CC2)nc1
InChIInChI=1S/C20H20BrN5O/c1-13-2-5-18(22-11-13)25-20(27)14-6-8-26(9-7-14)19-16-10-15(21)3-4-17(16)23-12-24-19/h2-5,10-12,14H,6-9H2,1H3,(H,22,25,27)
InChIKeyRMMIYLJQIABDRR-UHFFFAOYSA-N
MW426.32 g/mol
LogP3.95
Rot. Bonds3

About 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 87021145) has the molecular formula C20H20BrN5O and a molecular weight of 426.32 g/mol. Its IUPAC name is 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID87021145
Molecular FormulaC20H20BrN5O
Molecular Weight426.32 g/mol
Exact Mass425.09
IUPAC Name1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ncnc4ccc(Br)cc34)CC2)nc1
InChIInChI=1S/C20H20BrN5O/c1-13-2-5-18(22-11-13)25-20(27)14-6-8-26(9-7-14)19-16-10-15(21)3-4-17(16)23-12-24-19/h2-5,10-12,14H,6-9H2,1H3,(H,22,25,27)
InChIKeyRMMIYLJQIABDRR-UHFFFAOYSA-N
XLogP3.95
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 87021026
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
methyl 2-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133398939
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
1-(3-cyanopyrazin-2-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133283658
1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133303625
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
1-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-3-phenylurea
CID 86946136
1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810021
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 87021145) is 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ncnc4ccc(Br)cc34)CC2)nc1.
What is the InChIKey of 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is RMMIYLJQIABDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O/c1-13-2-5-18(22-11-13)25-20(27)14-6-8-26(9-7-14)19-16-10-15(21)3-4-17(16)23-12-24-19/h2-5,10-12,14H,6-9H2,1H3,(H,22,25,27).
What are the key properties of 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 426.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 87021145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).