N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine

C21H27N5 — CID 10126020

IUPACN'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1nc(-c2ccc(N(C)C)cc2)cc2ncccc12
InChIInChI=1S/C21H27N5/c1-22-12-6-14-26(4)21-18-7-5-13-23-20(18)15-19(24-21)16-8-10-17(11-9-16)25(2)3/h5,7-11,13,15,22H,6,12,14H2,1-4H3
InChIKeyLXPMHXBLTCVBRT-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.41
Rot. Bonds7

About N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine

N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 10126020) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID10126020
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)c1nc(-c2ccc(N(C)C)cc2)cc2ncccc12
InChIInChI=1S/C21H27N5/c1-22-12-6-14-26(4)21-18-7-5-13-23-20(18)15-19(24-21)16-8-10-17(11-9-16)25(2)3/h5,7-11,13,15,22H,6,12,14H2,1-4H3
InChIKeyLXPMHXBLTCVBRT-UHFFFAOYSA-N
XLogP3.41
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine (CID 10126020) is N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)c1nc(-c2ccc(N(C)C)cc2)cc2ncccc12.
What is the InChIKey of N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is LXPMHXBLTCVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-22-12-6-14-26(4)21-18-7-5-13-23-20(18)15-19(24-21)16-8-10-17(11-9-16)25(2)3/h5,7-11,13,15,22H,6,12,14H2,1-4H3.
What are the key properties of N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine?
N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 349.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 10126020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).