6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide

C19H16F3N5O2 — CID 67502997

IUPAC6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(OC(F)F)cc2)cc1NCc1cncc(F)c1
InChIInChI=1S/C19H16F3N5O2/c20-12-5-11(7-24-9-12)8-25-16-6-17(26-10-15(16)18(23)28)27-13-1-3-14(4-2-13)29-19(21)22/h1-7,9-10,19H,8H2,(H2,23,28)(H2,25,26,27)
InChIKeySDMWQERNSRLRQV-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.67
Rot. Bonds8

About 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide

6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide (PubChem CID 67502997) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
PubChem CID67502997
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Name6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(OC(F)F)cc2)cc1NCc1cncc(F)c1
InChIInChI=1S/C19H16F3N5O2/c20-12-5-11(7-24-9-12)8-25-16-6-17(26-10-15(16)18(23)28)27-13-1-3-14(4-2-13)29-19(21)22/h1-7,9-10,19H,8H2,(H2,23,28)(H2,25,26,27)
InChIKeySDMWQERNSRLRQV-UHFFFAOYSA-N
XLogP3.67
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide (CID 67502997) is 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(OC(F)F)cc2)cc1NCc1cncc(F)c1.
What is the InChIKey of 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
The InChIKey is SDMWQERNSRLRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-12-5-11(7-24-9-12)8-25-16-6-17(26-10-15(16)18(23)28)27-13-1-3-14(4-2-13)29-19(21)22/h1-7,9-10,19H,8H2,(H2,23,28)(H2,25,26,27).
What are the key properties of 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide?
6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)anilino]-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 67502997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).