N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H22BrN5O — CID 71708712

IUPACN-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCn1ccc2ccc(Br)cc21)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H22BrN5O/c21-17-5-4-15-6-11-25(18(15)13-17)12-9-22-19(27)16-3-1-10-26(14-16)20-23-7-2-8-24-20/h2,4-8,11,13,16H,1,3,9-10,12,14H2,(H,22,27)
InChIKeyLPYAVPNVUGBEMK-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 71708712) has the molecular formula C20H22BrN5O and a molecular weight of 428.33 g/mol. Its IUPAC name is N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID71708712
Molecular FormulaC20H22BrN5O
Molecular Weight428.33 g/mol
Exact Mass427.10
IUPAC NameN-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCn1ccc2ccc(Br)cc21)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H22BrN5O/c21-17-5-4-15-6-11-25(18(15)13-17)12-9-22-19(27)16-3-1-10-26(14-16)20-23-7-2-8-24-20/h2,4-8,11,13,16H,1,3,9-10,12,14H2,(H,22,27)
InChIKeyLPYAVPNVUGBEMK-UHFFFAOYSA-N
XLogP3.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71703277
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
(3S)-N-[2-(4-chlorophenyl)sulfanylethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34978527
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952168
(3S)-N-[(3-bromophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95056440
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(3S)-1-(6-indol-1-ylpyrimidin-4-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 97428773
(3R)-N-[(2S)-2,3-dihydroxypropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 41118231
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 71708712) is N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCCn1ccc2ccc(Br)cc21)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is LPYAVPNVUGBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O/c21-17-5-4-15-6-11-25(18(15)13-17)12-9-22-19(27)16-3-1-10-26(14-16)20-23-7-2-8-24-20/h2,4-8,11,13,16H,1,3,9-10,12,14H2,(H,22,27).
What are the key properties of N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 428.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71708712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).