N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 175217408) has the molecular formula C23H19ClF5N5O3 and a molecular weight of 543.88 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide
PubChem CID	175217408
Molecular Formula	C23H19ClF5N5O3
Molecular Weight	543.88 g/mol
Exact Mass	543.11
IUPAC Name	N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide
SMILES	O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(Nc2ccc(C(F)(F)F)nc2)c1
InChI	InChI=1S/C23H19ClF5N5O3/c24-23(28,29)37-17-4-1-14(2-5-17)33-21(36)13-9-18(20(31-10-13)34-8-7-16(35)12-34)32-15-3-6-19(30-11-15)22(25,26)27/h1-6,9-11,16,32,35H,7-8,12H2,(H,33,36)/t16-/m1/s1
InChIKey	FZHHMDZJWMVHHY-MRXNPFEDSA-N
XLogP	5.23
TPSA	99.61 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.88
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide (CID 175217408) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(Nc2ccc(C(F)(F)F)nc2)c1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is FZHHMDZJWMVHHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19ClF5N5O3/c24-23(28,29)37-17-4-1-14(2-5-17)33-21(36)13-9-18(20(31-10-13)34-8-7-16(35)12-34)32-15-3-6-19(30-11-15)22(25,26)27/h1-6,9-11,16,32,35H,7-8,12H2,(H,33,36)/t16-/m1/s1.

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 543.88 g/mol, XLogP of 5.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175217408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).