3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide

C28H30FN7O — CID 46185948

IUPAC3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(F)c(-c2ccc(N)c(-c3cc4c(N5CCCC(N)C5)ccnc4cn3)n2)c1
InChIInChI=1S/C28H30FN7O/c1-16(2)34-28(37)17-5-6-21(29)19(12-17)23-8-7-22(31)27(35-23)24-13-20-25(14-33-24)32-10-9-26(20)36-11-3-4-18(30)15-36/h5-10,12-14,16,18H,3-4,11,15,30-31H2,1-2H3,(H,34,37)
InChIKeyKWEQYIYARKVRPE-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.15
Rot. Bonds5

About 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide

3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide (PubChem CID 46185948) has the molecular formula C28H30FN7O and a molecular weight of 499.59 g/mol. Its IUPAC name is 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide
PubChem CID46185948
Molecular FormulaC28H30FN7O
Molecular Weight499.59 g/mol
Exact Mass499.25
IUPAC Name3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(F)c(-c2ccc(N)c(-c3cc4c(N5CCCC(N)C5)ccnc4cn3)n2)c1
InChIInChI=1S/C28H30FN7O/c1-16(2)34-28(37)17-5-6-21(29)19(12-17)23-8-7-22(31)27(35-23)24-13-20-25(14-33-24)32-10-9-26(20)36-11-3-4-18(30)15-36/h5-10,12-14,16,18H,3-4,11,15,30-31H2,1-2H3,(H,34,37)
InChIKeyKWEQYIYARKVRPE-UHFFFAOYSA-N
XLogP4.15
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide (CID 46185948) is 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(F)c(-c2ccc(N)c(-c3cc4c(N5CCCC(N)C5)ccnc4cn3)n2)c1.
What is the InChIKey of 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide?
The InChIKey is KWEQYIYARKVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O/c1-16(2)34-28(37)17-5-6-21(29)19(12-17)23-8-7-22(31)27(35-23)24-13-20-25(14-33-24)32-10-9-26(20)36-11-3-4-18(30)15-36/h5-10,12-14,16,18H,3-4,11,15,30-31H2,1-2H3,(H,34,37).
What are the key properties of 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide?
3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide has a molecular weight of 499.59 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[4-(3-aminopiperidin-1-yl)-1,7-naphthyridin-6-yl]-2-pyridinyl]-4-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 46185948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).