6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine

C14H18BrN3 — CID 114050216

IUPAC6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
SMILESCCCn1cccc1CNc1cnc(Br)c(C)c1
InChIInChI=1S/C14H18BrN3/c1-3-6-18-7-4-5-13(18)10-16-12-8-11(2)14(15)17-9-12/h4-5,7-9,16H,3,6,10H2,1-2H3
InChIKeyZJFSNSRCOYTQKL-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.98
Rot. Bonds5

About 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine

6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine (PubChem CID 114050216) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
PubChem CID114050216
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
SMILESCCCn1cccc1CNc1cnc(Br)c(C)c1
InChIInChI=1S/C14H18BrN3/c1-3-6-18-7-4-5-13(18)10-16-12-8-11(2)14(15)17-9-12/h4-5,7-9,16H,3,6,10H2,1-2H3
InChIKeyZJFSNSRCOYTQKL-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-dimethyl-5-N-[(1-propylpyrrol-2-yl)methyl]pyridine-2,5-diamine
CID 66410551
4-methoxy-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411382
1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
CID 66411903
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66410557
3-ethynyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410687
N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 66411725
4-bromo-3-nitro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 79767597
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
4-bromo-2-ethyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81291640
2-bromo-5-chloro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 81263969
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410561
2-bromo-4-methyl-5-nitro-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 104814923

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine (CID 114050216) is 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine is CCCn1cccc1CNc1cnc(Br)c(C)c1.
What is the InChIKey of 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The InChIKey is ZJFSNSRCOYTQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-6-18-7-4-5-13(18)10-16-12-8-11(2)14(15)17-9-12/h4-5,7-9,16H,3,6,10H2,1-2H3.
What are the key properties of 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine has a molecular weight of 308.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 114050216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).