7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one

C22H29N5O2 — CID 118399995

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(C(C)C)cc3cn2)nc1
InChIInChI=1S/C22H29N5O2/c1-5-27(6-2)9-10-29-17-7-8-20(24-14-17)26-21-12-19-16(13-23-21)11-18(15(3)4)22(28)25-19/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,25,28)(H,23,24,26)
InChIKeySQQVPHLKDBINIO-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.91
Rot. Bonds9

About 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one (PubChem CID 118399995) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one
PubChem CID118399995
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(C(C)C)cc3cn2)nc1
InChIInChI=1S/C22H29N5O2/c1-5-27(6-2)9-10-29-17-7-8-20(24-14-17)26-21-12-19-16(13-23-21)11-18(15(3)4)22(28)25-19/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,25,28)(H,23,24,26)
InChIKeySQQVPHLKDBINIO-UHFFFAOYSA-N
XLogP3.91
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one (CID 118399995) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3[nH]c(=O)c(C(C)C)cc3cn2)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one?
The InChIKey is SQQVPHLKDBINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-5-27(6-2)9-10-29-17-7-8-20(24-14-17)26-21-12-19-16(13-23-21)11-18(15(3)4)22(28)25-19/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,25,28)(H,23,24,26).
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one has a molecular weight of 395.51 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-propan-2-yl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 118399995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).