N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine

C16H21N3 — CID 63155526

IUPACN-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1ccc(C)nc1
InChIInChI=1S/C16H21N3/c1-3-8-18-16(11-14-6-9-17-10-7-14)15-5-4-13(2)19-12-15/h4-7,9-10,12,16,18H,3,8,11H2,1-2H3
InChIKeyPZVQYAADRDMDQR-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds6

About N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 63155526) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID63155526
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1ccc(C)nc1
InChIInChI=1S/C16H21N3/c1-3-8-18-16(11-14-6-9-17-10-7-14)15-5-4-13(2)19-12-15/h4-7,9-10,12,16,18H,3,8,11H2,1-2H3
InChIKeyPZVQYAADRDMDQR-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-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139481
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
2,2-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115855059
N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103546727
4-ethoxy-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 105146367
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine (CID 63155526) is N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)c1ccc(C)nc1.
What is the InChIKey of N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is PZVQYAADRDMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-8-18-16(11-14-6-9-17-10-7-14)15-5-4-13(2)19-12-15/h4-7,9-10,12,16,18H,3,8,11H2,1-2H3.
What are the key properties of N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-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-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 63155526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).