6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide

C20H19F2N5O — CID 58450737

IUPAC6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNCc1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C20H19F2N5O/c21-14-5-13(6-15(22)7-14)10-25-18-8-19(26-11-17(18)20(24)28)27-16-3-1-12(9-23)2-4-16/h1-8,11H,9-10,23H2,(H2,24,28)(H2,25,26,27)
InChIKeyIRGUVYZHWYNTLS-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.27
Rot. Bonds7

About 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide

6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 58450737) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID58450737
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
SMILESNCc1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C20H19F2N5O/c21-14-5-13(6-15(22)7-14)10-25-18-8-19(26-11-17(18)20(24)28)27-16-3-1-12(9-23)2-4-16/h1-8,11H,9-10,23H2,(H2,24,28)(H2,25,26,27)
InChIKeyIRGUVYZHWYNTLS-UHFFFAOYSA-N
XLogP3.27
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide (CID 58450737) is 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide is NCc1ccc(Nc2cc(NCc3cc(F)cc(F)c3)c(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is IRGUVYZHWYNTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-14-5-13(6-15(22)7-14)10-25-18-8-19(26-11-17(18)20(24)28)27-16-3-1-12(9-23)2-4-16/h1-8,11H,9-10,23H2,(H2,24,28)(H2,25,26,27).
What are the key properties of 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide?
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 58450737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).