1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine

C17H18FN5 — CID 25113038

IUPAC1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1nc(-c2ccncc2F)cc2cnccc12
InChIInChI=1S/C17H18FN5/c1-17(2,19)10-22-16-12-3-5-20-8-11(12)7-15(23-16)13-4-6-21-9-14(13)18/h3-9H,10,19H2,1-2H3,(H,22,23)
InChIKeyDVMQYKHCZLPSAP-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.98
Rot. Bonds4

About 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine

1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine (PubChem CID 25113038) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine
PubChem CID25113038
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1nc(-c2ccncc2F)cc2cnccc12
InChIInChI=1S/C17H18FN5/c1-17(2,19)10-22-16-12-3-5-20-8-11(12)7-15(23-16)13-4-6-21-9-14(13)18/h3-9H,10,19H2,1-2H3,(H,22,23)
InChIKeyDVMQYKHCZLPSAP-UHFFFAOYSA-N
XLogP2.98
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine (CID 25113038) is 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine is CC(C)(N)CNc1nc(-c2ccncc2F)cc2cnccc12.
What is the InChIKey of 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine?
The InChIKey is DVMQYKHCZLPSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-17(2,19)10-22-16-12-3-5-20-8-11(12)7-15(23-16)13-4-6-21-9-14(13)18/h3-9H,10,19H2,1-2H3,(H,22,23).
What are the key properties of 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine?
1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine has a molecular weight of 311.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(3-fluoro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 25113038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).