1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane

C20H31N5O — CID 166105632

IUPAC1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane
SMILESCC.CCCc1ccc(=O)n(C/C(=C(/N)c2cccc(C)n2)N(C)N)c1
InChIInChI=1S/C18H25N5O.C2H6/c1-4-6-14-9-10-17(24)23(11-14)12-16(22(3)20)18(19)15-8-5-7-13(2)21-15;1-2/h5,7-11H,4,6,12,19-20H2,1-3H3;1-2H3/b18-16-;
InChIKeyNTEQEOXGFRCGPS-FTUZMNKQSA-N
MW357.50 g/mol
LogP2.66
Rot. Bonds6

About 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane

1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane (PubChem CID 166105632) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane.

Molecular Properties

Compound Name1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane
PubChem CID166105632
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane
SMILESCC.CCCc1ccc(=O)n(C/C(=C(/N)c2cccc(C)n2)N(C)N)c1
InChIInChI=1S/C18H25N5O.C2H6/c1-4-6-14-9-10-17(24)23(11-14)12-16(22(3)20)18(19)15-8-5-7-13(2)21-15;1-2/h5,7-11H,4,6,12,19-20H2,1-3H3;1-2H3/b18-16-;
InChIKeyNTEQEOXGFRCGPS-FTUZMNKQSA-N
XLogP2.66
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane?
The IUPAC name of 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane (CID 166105632) is 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane.
What is the SMILES notation for 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane?
The canonical SMILES for 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane is CC.CCCc1ccc(=O)n(C/C(=C(/N)c2cccc(C)n2)N(C)N)c1.
What is the InChIKey of 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane?
The InChIKey is NTEQEOXGFRCGPS-FTUZMNKQSA-N. The full InChI is InChI=1S/C18H25N5O.C2H6/c1-4-6-14-9-10-17(24)23(11-14)12-16(22(3)20)18(19)15-8-5-7-13(2)21-15;1-2/h5,7-11H,4,6,12,19-20H2,1-3H3;1-2H3/b18-16-;.
What are the key properties of 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane?
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane has a molecular weight of 357.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(6-methyl-2-pyridinyl)prop-2-enyl]-5-propylpyridin-2-one;ethane is sourced from PubChem (CID 166105632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).