N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine

C27H22N4 — CID 118634299

IUPACN-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
SMILESCc1cccc(-c2ccc(CNc3nccc4cc(-c5cccnc5)ncc34)cc2)c1
InChIInChI=1S/C27H22N4/c1-19-4-2-5-22(14-19)21-9-7-20(8-10-21)16-31-27-25-18-30-26(15-23(25)11-13-29-27)24-6-3-12-28-17-24/h2-15,17-18H,16H2,1H3,(H,29,31)
InChIKeyWQYFARWJVJHTEK-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.28
Rot. Bonds5

About N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine

N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine (PubChem CID 118634299) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
PubChem CID118634299
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC NameN-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
SMILESCc1cccc(-c2ccc(CNc3nccc4cc(-c5cccnc5)ncc34)cc2)c1
InChIInChI=1S/C27H22N4/c1-19-4-2-5-22(14-19)21-9-7-20(8-10-21)16-31-27-25-18-30-26(15-23(25)11-13-29-27)24-6-3-12-28-17-24/h2-15,17-18H,16H2,1H3,(H,29,31)
InChIKeyWQYFARWJVJHTEK-UHFFFAOYSA-N
XLogP6.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
CID 174650721
1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118634349
6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 71618805
6-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 175829223
methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate
CID 118634364
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 118043574
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine
CID 118634351
6-(4-isocyanophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
CID 123370379
6-(3-fluorophenyl)-N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine
CID 118634314
6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
CID 175275331
N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 161348397

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?
The IUPAC name of N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine (CID 118634299) is N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine is Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cccnc5)ncc34)cc2)c1.
What is the InChIKey of N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?
The InChIKey is WQYFARWJVJHTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4/c1-19-4-2-5-22(14-19)21-9-7-20(8-10-21)16-31-27-25-18-30-26(15-23(25)11-13-29-27)24-6-3-12-28-17-24/h2-15,17-18H,16H2,1H3,(H,29,31).
What are the key properties of N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine?
N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine has a molecular weight of 402.50 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 118634299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).