[2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine

C18H16F2N4 — CID 163300970

IUPAC[2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
SMILESCC1(c2cccc(-c3ccc4cnc(CN)cc4n3)n2)CC1(F)F
InChIInChI=1S/C18H16F2N4/c1-17(10-18(17,19)20)16-4-2-3-13(24-16)14-6-5-11-9-22-12(8-21)7-15(11)23-14/h2-7,9H,8,10,21H2,1H3
InChIKeyAAFLHMVJDAIXOW-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.45
Rot. Bonds3

About [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine

[2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine (PubChem CID 163300970) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine.

Molecular Properties

Compound Name[2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
PubChem CID163300970
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine
SMILESCC1(c2cccc(-c3ccc4cnc(CN)cc4n3)n2)CC1(F)F
InChIInChI=1S/C18H16F2N4/c1-17(10-18(17,19)20)16-4-2-3-13(24-16)14-6-5-11-9-22-12(8-21)7-15(11)23-14/h2-7,9H,8,10,21H2,1H3
InChIKeyAAFLHMVJDAIXOW-UHFFFAOYSA-N
XLogP3.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
The IUPAC name of [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine (CID 163300970) is [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine.
What is the SMILES notation for [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
The canonical SMILES for [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine is CC1(c2cccc(-c3ccc4cnc(CN)cc4n3)n2)CC1(F)F.
What is the InChIKey of [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
The InChIKey is AAFLHMVJDAIXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c1-17(10-18(17,19)20)16-4-2-3-13(24-16)14-6-5-11-9-22-12(8-21)7-15(11)23-14/h2-7,9H,8,10,21H2,1H3.
What are the key properties of [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine?
[2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine has a molecular weight of 326.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(2,2-difluoro-1-methylcyclopropyl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methanamine is sourced from PubChem (CID 163300970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).