N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine

C17H25N3 — CID 79109290

IUPACN-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(Cc2cccnc2)c1
InChIInChI=1S/C17H25N3/c1-3-6-17(19-9-4-2)16-8-11-20(14-16)13-15-7-5-10-18-12-15/h5,7-8,10-12,14,17,19H,3-4,6,9,13H2,1-2H3
InChIKeyDLQIPUYWAOEJGE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.77
Rot. Bonds8

About N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine

N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79109290) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine
PubChem CID79109290
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCNC(CCC)c1ccn(Cc2cccnc2)c1
InChIInChI=1S/C17H25N3/c1-3-6-17(19-9-4-2)16-8-11-20(14-16)13-15-7-5-10-18-12-15/h5,7-8,10-12,14,17,19H,3-4,6,9,13H2,1-2H3
InChIKeyDLQIPUYWAOEJGE-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine 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-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 104801349
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108247
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108751
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109130
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79107982
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine (CID 79109290) is N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine is CCCNC(CCC)c1ccn(Cc2cccnc2)c1.
What is the InChIKey of N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is DLQIPUYWAOEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-6-17(19-9-4-2)16-8-11-20(14-16)13-15-7-5-10-18-12-15/h5,7-8,10-12,14,17,19H,3-4,6,9,13H2,1-2H3.
What are the key properties of N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine?
N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79109290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).