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

C17H23N3 — CID 107504138

IUPACN-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1cc(C)nc(C)c1
InChIInChI=1S/C17H23N3/c1-4-7-19-17(11-15-6-5-8-18-12-15)16-9-13(2)20-14(3)10-16/h5-6,8-10,12,17,19H,4,7,11H2,1-3H3
InChIKeyBYRGKKCUNLTMQM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.38
Rot. Bonds6

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

N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 107504138) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID107504138
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1cc(C)nc(C)c1
InChIInChI=1S/C17H23N3/c1-4-7-19-17(11-15-6-5-8-18-12-15)16-9-13(2)20-14(3)10-16/h5-6,8-10,12,17,19H,4,7,11H2,1-3H3
InChIKeyBYRGKKCUNLTMQM-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
N-[1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736468
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 107504138) is N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1cc(C)nc(C)c1.
What is the InChIKey of N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is BYRGKKCUNLTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-7-19-17(11-15-6-5-8-18-12-15)16-9-13(2)20-14(3)10-16/h5-6,8-10,12,17,19H,4,7,11H2,1-3H3.
What are the key properties of N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 107504138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).