(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide

C20H24N4O — CID 145487170

IUPAC(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide
SMILES[H]/N=C(C)/C(=C/c1ccc(N(CC)CC)cc1)C(=O)Nc1ccccn1
InChIInChI=1S/C20H24N4O/c1-4-24(5-2)17-11-9-16(10-12-17)14-18(15(3)21)20(25)23-19-8-6-7-13-22-19/h6-14,21H,4-5H2,1-3H3,(H,22,23,25)/b18-14-,21-15+
InChIKeyBSJSTTYOMPEASZ-IVUDTHCKSA-N
MW336.44 g/mol
LogP3.99
Rot. Bonds7

About (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide

(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide (PubChem CID 145487170) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide
PubChem CID145487170
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide
SMILES[H]/N=C(C)/C(=C/c1ccc(N(CC)CC)cc1)C(=O)Nc1ccccn1
InChIInChI=1S/C20H24N4O/c1-4-24(5-2)17-11-9-16(10-12-17)14-18(15(3)21)20(25)23-19-8-6-7-13-22-19/h6-14,21H,4-5H2,1-3H3,(H,22,23,25)/b18-14-,21-15+
InChIKeyBSJSTTYOMPEASZ-IVUDTHCKSA-N
XLogP3.99
TPSA69.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide?
The IUPAC name of (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide (CID 145487170) is (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide.
What is the SMILES notation for (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide?
The canonical SMILES for (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide is [H]/N=C(C)/C(=C/c1ccc(N(CC)CC)cc1)C(=O)Nc1ccccn1.
What is the InChIKey of (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide?
The InChIKey is BSJSTTYOMPEASZ-IVUDTHCKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-24(5-2)17-11-9-16(10-12-17)14-18(15(3)21)20(25)23-19-8-6-7-13-22-19/h6-14,21H,4-5H2,1-3H3,(H,22,23,25)/b18-14-,21-15+.
What are the key properties of (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide?
(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide has a molecular weight of 336.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(diethylamino)phenyl]methylidene]-3-imino-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 145487170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).