(4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid

C14H21BrN4O2 — CID 174166460

IUPAC(4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid
SMILESCN1CCN(CCCN(C(=O)O)c2cc(Br)ccn2)CC1
InChIInChI=1S/C14H21BrN4O2/c1-17-7-9-18(10-8-17)5-2-6-19(14(20)21)13-11-12(15)3-4-16-13/h3-4,11H,2,5-10H2,1H3,(H,20,21)
InChIKeySGEFMRXJWDDQDO-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.97
Rot. Bonds5

About (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid

(4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid (PubChem CID 174166460) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid.

Molecular Properties

Compound Name(4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid
PubChem CID174166460
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC Name(4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid
SMILESCN1CCN(CCCN(C(=O)O)c2cc(Br)ccn2)CC1
InChIInChI=1S/C14H21BrN4O2/c1-17-7-9-18(10-8-17)5-2-6-19(14(20)21)13-11-12(15)3-4-16-13/h3-4,11H,2,5-10H2,1H3,(H,20,21)
InChIKeySGEFMRXJWDDQDO-UHFFFAOYSA-N
XLogP1.97
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid 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

(4-bromo-2-pyridinyl)-methylcarbamic acid
CID 68656827
[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
CID 110009684
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine
CID 2299895
N,4-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 133309491
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221
4-bromo-2-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862276
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
CID 156580264
(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
1-(4-bromo-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862066
3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid?
The IUPAC name of (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid (CID 174166460) is (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid.
What is the SMILES notation for (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid?
The canonical SMILES for (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid is CN1CCN(CCCN(C(=O)O)c2cc(Br)ccn2)CC1.
What is the InChIKey of (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid?
The InChIKey is SGEFMRXJWDDQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c1-17-7-9-18(10-8-17)5-2-6-19(14(20)21)13-11-12(15)3-4-16-13/h3-4,11H,2,5-10H2,1H3,(H,20,21).
What are the key properties of (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid?
(4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid has a molecular weight of 357.25 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyridinyl)-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid is sourced from PubChem (CID 174166460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).