N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine

C21H23N3 — CID 146145822

IUPACN-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine
SMILESCCc1ccc(CNC(Cc2ccncc2)c2cccnc2)cc1
InChIInChI=1S/C21H23N3/c1-2-17-5-7-19(8-6-17)15-24-21(20-4-3-11-23-16-20)14-18-9-12-22-13-10-18/h3-13,16,21,24H,2,14-15H2,1H3
InChIKeyIDOCFPLURUXXJN-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.11
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine

N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine (PubChem CID 146145822) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine
PubChem CID146145822
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine
SMILESCCc1ccc(CNC(Cc2ccncc2)c2cccnc2)cc1
InChIInChI=1S/C21H23N3/c1-2-17-5-7-19(8-6-17)15-24-21(20-4-3-11-23-16-20)14-18-9-12-22-13-10-18/h3-13,16,21,24H,2,14-15H2,1H3
InChIKeyIDOCFPLURUXXJN-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923282
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 65477287
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine (CID 146145822) is N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine is CCc1ccc(CNC(Cc2ccncc2)c2cccnc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine?
The InChIKey is IDOCFPLURUXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-17-5-7-19(8-6-17)15-24-21(20-4-3-11-23-16-20)14-18-9-12-22-13-10-18/h3-13,16,21,24H,2,14-15H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine?
N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine has a molecular weight of 317.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-pyridin-3-yl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 146145822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).