1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea

C19H24N6O — CID 135293200

IUPAC1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea
SMILES[H]/N=C1/c2c(N)cc(NC(=O)NC(C)c3ccccc3)nc2CCN1CC
InChIInChI=1S/C19H24N6O/c1-3-25-10-9-15-17(18(25)21)14(20)11-16(23-15)24-19(26)22-12(2)13-7-5-4-6-8-13/h4-8,11-12,21H,3,9-10H2,1-2H3,(H4,20,22,23,24,26)/b21-18-
InChIKeyVMNZEINUDYFGMN-UZYVYHOESA-N
MW352.44 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea

1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea (PubChem CID 135293200) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea
PubChem CID135293200
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea
SMILES[H]/N=C1/c2c(N)cc(NC(=O)NC(C)c3ccccc3)nc2CCN1CC
InChIInChI=1S/C19H24N6O/c1-3-25-10-9-15-17(18(25)21)14(20)11-16(23-15)24-19(26)22-12(2)13-7-5-4-6-8-13/h4-8,11-12,21H,3,9-10H2,1-2H3,(H4,20,22,23,24,26)/b21-18-
InChIKeyVMNZEINUDYFGMN-UZYVYHOESA-N
XLogP2.75
TPSA107.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-acetyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-10-yl)-3-(1-phenylethyl)urea
CID 123521332
1-[4-amino-5-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboximidoyl)-2-pyridinyl]-3-[(1R)-1-phenylethyl]urea
CID 144598860
N-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidoyl]-N-methylacetamide
CID 144598905
methyl 4-amino-2-[(dimethylamino)methyl]-6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-3-carboximidate
CID 144599335
1-[4-amino-5-(2-fluoropyridine-4-carboximidoyl)-6-(hydroxymethyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 144869658
1-[1-(cyclopropylmethyl)-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
CID 146216019
1-[4-amino-5-(N'-methylcarbamimidoyl)-2-pyridinyl]-3-(1-phenylethyl)urea
CID 135293192
N-[amino-[4-amino-6-[[(1R)-1-phenylethyl]carbamoylamino]-3-pyridinyl]methylidene]-2-methylpropanamide
CID 135293439
1-[3,4-bis(hydroxymethyl)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 118168992
1-[amino-[4-amino-6-(1-phenylethylcarbamoylamino)-3-pyridinyl]methylidene]-3-propan-2-ylurea
CID 123235333
1-[4-amino-5-[N'-(3-oxocyclopenten-1-yl)carbamimidoyl]-2-pyridinyl]-3-(1-phenylethyl)urea
CID 123347814
1-[1-cyclopentyl-7-(hydroxymethyl)pyrazolo[3,4-c]pyridin-5-yl]-3-(1-phenylethyl)urea
CID 146216002

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea (CID 135293200) is 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea is [H]/N=C1/c2c(N)cc(NC(=O)NC(C)c3ccccc3)nc2CCN1CC.
What is the InChIKey of 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea?
The InChIKey is VMNZEINUDYFGMN-UZYVYHOESA-N. The full InChI is InChI=1S/C19H24N6O/c1-3-25-10-9-15-17(18(25)21)14(20)11-16(23-15)24-19(26)22-12(2)13-7-5-4-6-8-13/h4-8,11-12,21H,3,9-10H2,1-2H3,(H4,20,22,23,24,26)/b21-18-.
What are the key properties of 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea?
1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea has a molecular weight of 352.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-ethyl-5-imino-7,8-dihydro-1,6-naphthyridin-2-yl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 135293200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).