[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine

C25H20N5+ — CID 123711082

IUPAC[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccnc(-c4cnc[nH+]c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H19N5/c26-13-17-6-8-19(9-7-17)25-21(18-4-2-1-3-5-18)12-22-23(30-25)10-11-29-24(22)20-14-27-16-28-15-20/h1-12,14-16H,13,26H2/p+1
InChIKeyKJLZNTVLPQZFCI-UHFFFAOYSA-O
MW390.47 g/mol
LogP4.30
Rot. Bonds4

About [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine

[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine (PubChem CID 123711082) has the molecular formula C25H20N5+ and a molecular weight of 390.47 g/mol. Its IUPAC name is [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
PubChem CID123711082
Molecular FormulaC25H20N5+
Molecular Weight390.47 g/mol
Exact Mass390.17
IUPAC Name[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccnc(-c4cnc[nH+]c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H19N5/c26-13-17-6-8-19(9-7-17)25-21(18-4-2-1-3-5-18)12-22-23(30-25)10-11-29-24(22)20-14-27-16-28-15-20/h1-12,14-16H,13,26H2/p+1
InChIKeyKJLZNTVLPQZFCI-UHFFFAOYSA-O
XLogP4.30
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[3-phenyl-5-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)-1,6-naphthyridin-2-yl]phenyl]methanamine
CID 58524544
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
[4-[3-phenyl-5-[(pyridin-4-ylmethylamino)methyl]-1,6-naphthyridin-2-yl]phenyl]methanamine;trihydrochloride
CID 173038240
[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
2-[4-(aminomethyl)phenyl]-N'-hydroxy-3-phenyl-1,6-naphthyridine-5-carboximidamide;hydrochloride
CID 173038122
3-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-1-phenylpropan-1-ol
CID 58524325
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
3-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]propan-1-amine
CID 123309912
[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524677

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine?
The IUPAC name of [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine (CID 123711082) is [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine is NCc1ccc(-c2nc3ccnc(-c4cnc[nH+]c4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine?
The InChIKey is KJLZNTVLPQZFCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H19N5/c26-13-17-6-8-19(9-7-17)25-21(18-4-2-1-3-5-18)12-22-23(30-25)10-11-29-24(22)20-14-27-16-28-15-20/h1-12,14-16H,13,26H2/p+1.
What are the key properties of [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine?
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine has a molecular weight of 390.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine is sourced from PubChem (CID 123711082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).