3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol

C30H27N3O — CID 58524325

IUPAC3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol
SMILESNCc1ccc(-c2nc3ccnc(CCC(O)c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C30H27N3O/c31-20-21-11-13-24(14-12-21)30-25(22-7-3-1-4-8-22)19-26-27(32-18-17-28(26)33-30)15-16-29(34)23-9-5-2-6-10-23/h1-14,17-19,29,34H,15-16,20,31H2
InChIKeyYHUGSVXTZMRIRL-UHFFFAOYSA-N
MW445.57 g/mol
LogP6.09
Rot. Bonds7

About 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol

3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol (PubChem CID 58524325) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol
PubChem CID58524325
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC Name3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol
SMILESNCc1ccc(-c2nc3ccnc(CCC(O)c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C30H27N3O/c31-20-21-11-13-24(14-12-21)30-25(22-7-3-1-4-8-22)19-26-27(32-18-17-28(26)33-30)15-16-29(34)23-9-5-2-6-10-23/h1-14,17-19,29,34H,15-16,20,31H2
InChIKeyYHUGSVXTZMRIRL-UHFFFAOYSA-N
XLogP6.09
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[5-(3-morpholin-4-ylpropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methanamine;hydrochloride
CID 173037998
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
[4-[3-phenyl-5-[(pyridin-4-ylmethylamino)methyl]-1,6-naphthyridin-2-yl]phenyl]methanamine;trihydrochloride
CID 173038240
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
[2-[3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]propoxy]phenyl]methanol;2,2,2-trifluoroacetic acid
CID 171929561
2-[4-(aminomethyl)phenyl]-N'-hydroxy-3-phenyl-1,6-naphthyridine-5-carboximidamide;hydrochloride
CID 173038122
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol (CID 58524325) is 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol is NCc1ccc(-c2nc3ccnc(CCC(O)c4ccccc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol?
The InChIKey is YHUGSVXTZMRIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c31-20-21-11-13-24(14-12-21)30-25(22-7-3-1-4-8-22)19-26-27(32-18-17-28(26)33-30)15-16-29(34)23-9-5-2-6-10-23/h1-14,17-19,29,34H,15-16,20,31H2.
What are the key properties of 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol?
3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol has a molecular weight of 445.57 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 58524325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).