3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine

C20H19N7 — CID 135345357

IUPAC3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCc1ccncc1-c1cc2cc(Nc3cc(C)ncn3)ncc2c(N)n1
InChIInChI=1S/C20H19N7/c1-3-13-4-5-22-9-15(13)17-7-14-8-19(23-10-16(14)20(21)26-17)27-18-6-12(2)24-11-25-18/h4-11H,3H2,1-2H3,(H2,21,26)(H,23,24,25,27)
InChIKeyRZGICEJFEOGPJD-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.68
Rot. Bonds4

About 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine

3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 135345357) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID135345357
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCc1ccncc1-c1cc2cc(Nc3cc(C)ncn3)ncc2c(N)n1
InChIInChI=1S/C20H19N7/c1-3-13-4-5-22-9-15(13)17-7-14-8-19(23-10-16(14)20(21)26-17)27-18-6-12(2)24-11-25-18/h4-11H,3H2,1-2H3,(H2,21,26)(H,23,24,25,27)
InChIKeyRZGICEJFEOGPJD-UHFFFAOYSA-N
XLogP3.68
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine (CID 135345357) is 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine is CCc1ccncc1-c1cc2cc(Nc3cc(C)ncn3)ncc2c(N)n1.
What is the InChIKey of 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is RZGICEJFEOGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-3-13-4-5-22-9-15(13)17-7-14-8-19(23-10-16(14)20(21)26-17)27-18-6-12(2)24-11-25-18/h4-11H,3H2,1-2H3,(H2,21,26)(H,23,24,25,27).
What are the key properties of 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine?
3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 357.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-pyridinyl)-6-N-(6-methylpyrimidin-4-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 135345357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).