N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide

C20H26N4O — CID 155812952

IUPACN-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCCN(CCC)c1ccc(/C=N/NC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-4-11-24(12-5-2)19-9-8-17(16(3)13-19)15-22-23-20(25)18-7-6-10-21-14-18/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,23,25)/b22-15+
InChIKeyRYTFENZNBMVESD-PXLXIMEGSA-N
MW338.46 g/mol
LogP3.78
Rot. Bonds8

About N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 155812952) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID155812952
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCCN(CCC)c1ccc(/C=N/NC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-4-11-24(12-5-2)19-9-8-17(16(3)13-19)15-22-23-20(25)18-7-6-10-21-14-18/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,23,25)/b22-15+
InChIKeyRYTFENZNBMVESD-PXLXIMEGSA-N
XLogP3.78
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide (CID 155812952) is N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide is CCCN(CCC)c1ccc(/C=N/NC(=O)c2cccnc2)c(C)c1.
What is the InChIKey of N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is RYTFENZNBMVESD-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-11-24(12-5-2)19-9-8-17(16(3)13-19)15-22-23-20(25)18-7-6-10-21-14-18/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 155812952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).