8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine

C21H25N5 — CID 166374914

IUPAC8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine
SMILESCc1ccnc2c(NCc3ccc(N4CCN(C)CC4)cc3)ccnc12
InChIInChI=1S/C21H25N5/c1-16-7-9-23-21-19(8-10-22-20(16)21)24-15-17-3-5-18(6-4-17)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,22,24)
InChIKeyFNXPNABGYMQIOR-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.30
Rot. Bonds4

About 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine

8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 166374914) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine
PubChem CID166374914
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine
SMILESCc1ccnc2c(NCc3ccc(N4CCN(C)CC4)cc3)ccnc12
InChIInChI=1S/C21H25N5/c1-16-7-9-23-21-19(8-10-22-20(16)21)24-15-17-3-5-18(6-4-17)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,22,24)
InChIKeyFNXPNABGYMQIOR-UHFFFAOYSA-N
XLogP3.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43766097
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
6-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinolin-4-amine
CID 133468020
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
6-N-[(4-fluorophenyl)methyl]-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4,6-diamine
CID 112859815
6-(3,5-dimethylphenyl)-4-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 174775657
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888087
2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine (CID 166374914) is 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine is Cc1ccnc2c(NCc3ccc(N4CCN(C)CC4)cc3)ccnc12.
What is the InChIKey of 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine?
The InChIKey is FNXPNABGYMQIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-7-9-23-21-19(8-10-22-20(16)21)24-15-17-3-5-18(6-4-17)26-13-11-25(2)12-14-26/h3-10H,11-15H2,1-2H3,(H,22,24).
What are the key properties of 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine?
8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 166374914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).