N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide

C22H30N6O — CID 11079765

IUPACN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(NCCN(C)C)ncc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H30N6O/c1-15-7-6-8-16-13-17-20(26-19(15)16)18(22(29)24-10-12-28(4)5)14-25-21(17)23-9-11-27(2)3/h6-8,13-14H,9-12H2,1-5H3,(H,23,25)(H,24,29)
InChIKeyFIWUTVRQJNQHAV-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide (PubChem CID 11079765) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide
PubChem CID11079765
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide
SMILESCc1cccc2cc3c(NCCN(C)C)ncc(C(=O)NCCN(C)C)c3nc12
InChIInChI=1S/C22H30N6O/c1-15-7-6-8-16-13-17-20(26-19(15)16)18(22(29)24-10-12-28(4)5)14-25-21(17)23-9-11-27(2)3/h6-8,13-14H,9-12H2,1-5H3,(H,23,25)(H,24,29)
InChIKeyFIWUTVRQJNQHAV-UHFFFAOYSA-N
XLogP2.36
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide (CID 11079765) is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide is Cc1cccc2cc3c(NCCN(C)C)ncc(C(=O)NCCN(C)C)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide?
The InChIKey is FIWUTVRQJNQHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-15-7-6-8-16-13-17-20(26-19(15)16)18(22(29)24-10-12-28(4)5)14-25-21(17)23-9-11-27(2)3/h6-8,13-14H,9-12H2,1-5H3,(H,23,25)(H,24,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-6-methylbenzo[b][1,6]naphthyridine-4-carboxamide is sourced from PubChem (CID 11079765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).