N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine

C16H21N3 — CID 105164345

IUPACN-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cnccc1C
InChIInChI=1S/C16H21N3/c1-3-19-16(15-12-18-10-8-13(15)2)7-6-14-5-4-9-17-11-14/h4-5,8-12,16,19H,3,6-7H2,1-2H3
InChIKeyWWLTVAMBBYSSBZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds6

About N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine

N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105164345) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105164345
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cnccc1C
InChIInChI=1S/C16H21N3/c1-3-19-16(15-12-18-10-8-13(15)2)7-6-14-5-4-9-17-11-14/h4-5,8-12,16,19H,3,6-7H2,1-2H3
InChIKeyWWLTVAMBBYSSBZ-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
N-ethyl-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 66272697
N-ethyl-1-(4-methyl-3-pyridinyl)-2-methylsulfanylethanamine
CID 66272071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine (CID 105164345) is N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine is CCNC(CCc1cccnc1)c1cnccc1C.
What is the InChIKey of N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is WWLTVAMBBYSSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-19-16(15-12-18-10-8-13(15)2)7-6-14-5-4-9-17-11-14/h4-5,8-12,16,19H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine?
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105164345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).