N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide

C19H17BrFN5O — CID 133270051

IUPACN-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H17BrFN5O/c20-13-1-4-17(22-10-13)25-19(27)12-5-7-26(8-6-12)18-15-9-14(21)2-3-16(15)23-11-24-18/h1-4,9-12H,5-8H2,(H,22,25,27)
InChIKeyKMVMGNXDEGJAEB-UHFFFAOYSA-N
MW430.28 g/mol
LogP3.78
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide (PubChem CID 133270051) has the molecular formula C19H17BrFN5O and a molecular weight of 430.28 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide
PubChem CID133270051
Molecular FormulaC19H17BrFN5O
Molecular Weight430.28 g/mol
Exact Mass429.06
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C19H17BrFN5O/c20-13-1-4-17(22-10-13)25-19(27)12-5-7-26(8-6-12)18-15-9-14(21)2-3-16(15)23-11-24-18/h1-4,9-12H,5-8H2,(H,22,25,27)
InChIKeyKMVMGNXDEGJAEB-UHFFFAOYSA-N
XLogP3.78
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-N-(4-((3-bromophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 5328969
PD 174265
CID 4709
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-[methyl(prop-2-en-1-yl)amino]but-2-ynamide
CID 5328959
N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-enamide
CID 5329069
N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N-methylprop-2-enamide
CID 5329070
(2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}but-2-enamide
CID 5329072
(2E)-3-[2-(piperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]-N-(quinolin-7-yl)prop-2-enamide
CID 11487127
N-{4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}acetamide
CID 5328250
N-(3-bromophenyl)-7-fluoropyrido[4,3-d]pyrimidin-4-amine
CID 5328251
4-({4-[(3-Bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)butanoic acid
CID 5328323
4-Anilinopyrido[3,4-d]pyrimidine 27
CID 5329088
7-Acetamido-4-[(3-bromophenyl)amino]quinazoline
CID 5328207

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide (CID 133270051) is N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
The InChIKey is KMVMGNXDEGJAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN5O/c20-13-1-4-17(22-10-13)25-19(27)12-5-7-26(8-6-12)18-15-9-14(21)2-3-16(15)23-11-24-18/h1-4,9-12H,5-8H2,(H,22,25,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide has a molecular weight of 430.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 133270051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).