5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine

C19H16ClFN4O — CID 155399992

IUPAC5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine
SMILES[H]/N=C/c1ncc(-c2ccc(F)c(Cl)c2)cc1NCc1cncc(OC)c1
InChIInChI=1S/C19H16ClFN4O/c1-26-15-4-12(8-23-11-15)9-24-18-6-14(10-25-19(18)7-22)13-2-3-17(21)16(20)5-13/h2-8,10-11,22,24H,9H2,1H3/b22-7+
InChIKeyZMOHXPXIIWDHPX-QPJQQBGISA-N
MW370.82 g/mol
LogP4.55
Rot. Bonds6

About 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine

5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine (PubChem CID 155399992) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine
PubChem CID155399992
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine
SMILES[H]/N=C/c1ncc(-c2ccc(F)c(Cl)c2)cc1NCc1cncc(OC)c1
InChIInChI=1S/C19H16ClFN4O/c1-26-15-4-12(8-23-11-15)9-24-18-6-14(10-25-19(18)7-22)13-2-3-17(21)16(20)5-13/h2-8,10-11,22,24H,9H2,1H3/b22-7+
InChIKeyZMOHXPXIIWDHPX-QPJQQBGISA-N
XLogP4.55
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine (CID 155399992) is 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine is [H]/N=C/c1ncc(-c2ccc(F)c(Cl)c2)cc1NCc1cncc(OC)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is ZMOHXPXIIWDHPX-QPJQQBGISA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-26-15-4-12(8-23-11-15)9-24-18-6-14(10-25-19(18)7-22)13-2-3-17(21)16(20)5-13/h2-8,10-11,22,24H,9H2,1H3/b22-7+.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 370.82 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-2-methanimidoyl-N-[(5-methoxy-3-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 155399992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).