N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide

C22H23BrN4O — CID 30840445

IUPACN-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)N(Cc3cccc(Br)c3)C3CC3)CC2)nc1
InChIInChI=1S/C22H23BrN4O/c23-19-3-1-2-16(12-19)15-27(20-5-6-20)22(28)18-8-10-26(11-9-18)21-7-4-17(13-24)14-25-21/h1-4,7,12,14,18,20H,5-6,8-11,15H2
InChIKeyPGTAMUUETLDGQM-UHFFFAOYSA-N
MW439.36 g/mol
LogP4.12
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide

N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 30840445) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID30840445
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC NameN-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)N(Cc3cccc(Br)c3)C3CC3)CC2)nc1
InChIInChI=1S/C22H23BrN4O/c23-19-3-1-2-16(12-19)15-27(20-5-6-20)22(28)18-8-10-26(11-9-18)21-7-4-17(13-24)14-25-21/h1-4,7,12,14,18,20H,5-6,8-11,15H2
InChIKeyPGTAMUUETLDGQM-UHFFFAOYSA-N
XLogP4.12
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 155946088
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 46550702
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide (CID 30840445) is N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)N(Cc3cccc(Br)c3)C3CC3)CC2)nc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is PGTAMUUETLDGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c23-19-3-1-2-16(12-19)15-27(20-5-6-20)22(28)18-8-10-26(11-9-18)21-7-4-17(13-24)14-25-21/h1-4,7,12,14,18,20H,5-6,8-11,15H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide?
N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 439.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 30840445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).