6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine

C19H21ClF2N4O — CID 90067102

IUPAC6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
SMILESFC(F)c1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(Cl)n2)c1
InChIInChI=1S/C19H21ClF2N4O/c20-16-7-14(12-2-5-26(6-3-12)15-10-27-11-15)9-18(24-16)25-17-8-13(19(21)22)1-4-23-17/h1,4,7-9,12,15,19H,2-3,5-6,10-11H2,(H,23,24,25)
InChIKeyQPVWAPFWMFDGAL-UHFFFAOYSA-N
MW394.85 g/mol
LogP4.39
Rot. Bonds5

About 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine

6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine (PubChem CID 90067102) has the molecular formula C19H21ClF2N4O and a molecular weight of 394.85 g/mol. Its IUPAC name is 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
PubChem CID90067102
Molecular FormulaC19H21ClF2N4O
Molecular Weight394.85 g/mol
Exact Mass394.14
IUPAC Name6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
SMILESFC(F)c1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(Cl)n2)c1
InChIInChI=1S/C19H21ClF2N4O/c20-16-7-14(12-2-5-26(6-3-12)15-10-27-11-15)9-18(24-16)25-17-8-13(19(21)22)1-4-23-17/h1,4,7-9,12,15,19H,2-3,5-6,10-11H2,(H,23,24,25)
InChIKeyQPVWAPFWMFDGAL-UHFFFAOYSA-N
XLogP4.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine (CID 90067102) is 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine is FC(F)c1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is QPVWAPFWMFDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N4O/c20-16-7-14(12-2-5-26(6-3-12)15-10-27-11-15)9-18(24-16)25-17-8-13(19(21)22)1-4-23-17/h1,4,7-9,12,15,19H,2-3,5-6,10-11H2,(H,23,24,25).
What are the key properties of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine?
6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 394.85 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 90067102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).