1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine

C34H32N8 — CID 12975071

IUPAC1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccccn2)Cc2ccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc3n2)nc1
InChIInChI=1S/C34H32N8/c1-5-17-35-28(9-1)21-41(22-29-10-2-6-18-36-29)25-32-15-13-27-14-16-33(40-34(27)39-32)26-42(23-30-11-3-7-19-37-30)24-31-12-4-8-20-38-31/h1-20H,21-26H2
InChIKeyOCIIJSSKEPCPIG-UHFFFAOYSA-N
MW552.69 g/mol
LogP5.61
Rot. Bonds12

About 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine

1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine (PubChem CID 12975071) has the molecular formula C34H32N8 and a molecular weight of 552.69 g/mol. Its IUPAC name is 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
PubChem CID12975071
Molecular FormulaC34H32N8
Molecular Weight552.69 g/mol
Exact Mass552.27
IUPAC Name1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CN(Cc2ccccn2)Cc2ccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc3n2)nc1
InChIInChI=1S/C34H32N8/c1-5-17-35-28(9-1)21-41(22-29-10-2-6-18-36-29)25-32-15-13-27-14-16-33(40-34(27)39-32)26-42(23-30-11-3-7-19-37-30)24-31-12-4-8-20-38-31/h1-20H,21-26H2
InChIKeyOCIIJSSKEPCPIG-UHFFFAOYSA-N
XLogP5.61
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.69
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
2-m-Tolyl-1,8-naphthyridine
CID 44434718
2-Phenyl-1,8-naphthyridine
CID 12333592
3-Phenylpyrido[2,3-b]pyrazine
CID 343554
6-(4-Benzylpiperazino)pyrido(3,2-e)pyrrolo(1,2-a)pyrazine
CID 9841032
(R)-2-methyl-3-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-1,8-naphthyridine
CID 11710694
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine (CID 12975071) is 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine is c1ccc(CN(Cc2ccccn2)Cc2ccc3ccc(CN(Cc4ccccn4)Cc4ccccn4)nc3n2)nc1.
What is the InChIKey of 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
The InChIKey is OCIIJSSKEPCPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N8/c1-5-17-35-28(9-1)21-41(22-29-10-2-6-18-36-29)25-32-15-13-27-14-16-33(40-34(27)39-32)26-42(23-30-11-3-7-19-37-30)24-31-12-4-8-20-38-31/h1-20H,21-26H2.
What are the key properties of 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine?
1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine has a molecular weight of 552.69 g/mol, XLogP of 5.61, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[bis(pyridin-2-ylmethyl)amino]methyl]-1,8-naphthyridin-2-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 12975071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).