ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline

C25H36N4 — CID 143648651

IUPACethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline
SMILESC=Nc1cc(-n2cccc2)ccc1NCc1nccc(CCC)c1C.CC.CC
InChIInChI=1S/C21H24N4.2C2H6/c1-4-7-17-10-11-23-21(16(17)2)15-24-19-9-8-18(14-20(19)22-3)25-12-5-6-13-25;2*1-2/h5-6,8-14,24H,3-4,7,15H2,1-2H3;2*1-2H3
InChIKeyKPFUTYYSGNYMBD-UHFFFAOYSA-N
MW392.59 g/mol
LogP7.13
Rot. Bonds7

About ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline

ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline (PubChem CID 143648651) has the molecular formula C25H36N4 and a molecular weight of 392.59 g/mol. Its IUPAC name is ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline.

Molecular Properties

Compound Nameethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline
PubChem CID143648651
Molecular FormulaC25H36N4
Molecular Weight392.59 g/mol
Exact Mass392.29
IUPAC Nameethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline
SMILESC=Nc1cc(-n2cccc2)ccc1NCc1nccc(CCC)c1C.CC.CC
InChIInChI=1S/C21H24N4.2C2H6/c1-4-7-17-10-11-23-21(16(17)2)15-24-19-9-8-18(14-20(19)22-3)25-12-5-6-13-25;2*1-2/h5-6,8-14,24H,3-4,7,15H2,1-2H3;2*1-2H3
InChIKeyKPFUTYYSGNYMBD-UHFFFAOYSA-N
XLogP7.13
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline?
The IUPAC name of ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline (CID 143648651) is ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline.
What is the SMILES notation for ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline?
The canonical SMILES for ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline is C=Nc1cc(-n2cccc2)ccc1NCc1nccc(CCC)c1C.CC.CC.
What is the InChIKey of ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline?
The InChIKey is KPFUTYYSGNYMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4.2C2H6/c1-4-7-17-10-11-23-21(16(17)2)15-24-19-9-8-18(14-20(19)22-3)25-12-5-6-13-25;2*1-2/h5-6,8-14,24H,3-4,7,15H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline?
ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline has a molecular weight of 392.59 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylideneamino)-N-[(3-methyl-4-propyl-2-pyridinyl)methyl]-4-pyrrol-1-ylaniline is sourced from PubChem (CID 143648651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).