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

C22H27N5O2 — CID 137317098

IUPAC7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(/N=C2/C=c3[nH]c(=O)c(=C(C)C)cc3C=N2)nc1
InChIInChI=1S/C22H27N5O2/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/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,25,28)/b26-21-
InChIKeyUVIPFDSADGZXDN-QLYXXIJNSA-N
MW393.49 g/mol
LogP1.62
Rot. Bonds7

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

7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one (PubChem CID 137317098) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one
PubChem CID137317098
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(/N=C2/C=c3[nH]c(=O)c(=C(C)C)cc3C=N2)nc1
InChIInChI=1S/C22H27N5O2/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/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,25,28)/b26-21-
InChIKeyUVIPFDSADGZXDN-QLYXXIJNSA-N
XLogP1.62
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one (CID 137317098) is 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(/N=C2/C=c3[nH]c(=O)c(=C(C)C)cc3C=N2)nc1.
What is the InChIKey of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one?
The InChIKey is UVIPFDSADGZXDN-QLYXXIJNSA-N. The full InChI is InChI=1S/C22H27N5O2/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/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,25,28)/b26-21-.
What are the key properties of 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one?
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one has a molecular weight of 393.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]imino]-3-propan-2-ylidene-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 137317098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).