N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine

C17H23N3 — CID 105179991

IUPACN-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1ccncc1)Cc1cccnc1
InChIInChI=1S/C17H23N3/c1-2-9-20-17(13-16-4-3-10-19-14-16)6-5-15-7-11-18-12-8-15/h3-4,7-8,10-12,14,17,20H,2,5-6,9,13H2,1H3
InChIKeyUXJRGLZLMNLARL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.02
Rot. Bonds8

About N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine

N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine (PubChem CID 105179991) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
PubChem CID105179991
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
SMILESCCCNC(CCc1ccncc1)Cc1cccnc1
InChIInChI=1S/C17H23N3/c1-2-9-20-17(13-16-4-3-10-19-14-16)6-5-15-7-11-18-12-8-15/h3-4,7-8,10-12,14,17,20H,2,5-6,9,13H2,1H3
InChIKeyUXJRGLZLMNLARL-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105180056
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955
1-(3-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552908
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine (CID 105179991) is N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine is CCCNC(CCc1ccncc1)Cc1cccnc1.
What is the InChIKey of N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is UXJRGLZLMNLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-9-20-17(13-16-4-3-10-19-14-16)6-5-15-7-11-18-12-8-15/h3-4,7-8,10-12,14,17,20H,2,5-6,9,13H2,1H3.
What are the key properties of N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine?
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 105179991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).