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

C18H21ClF2N4 — CID 90067488

IUPAC6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine
SMILESCCN1CCC(c2cc(Cl)nc(Nc3cc(C(F)F)ccn3)c2)CC1
InChIInChI=1S/C18H21ClF2N4/c1-2-25-7-4-12(5-8-25)14-9-15(19)23-17(11-14)24-16-10-13(18(20)21)3-6-22-16/h3,6,9-12,18H,2,4-5,7-8H2,1H3,(H,22,23,24)
InChIKeyGQCVMZFYZJDTJW-UHFFFAOYSA-N
MW366.84 g/mol
LogP5.01
Rot. Bonds5

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

6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine (PubChem CID 90067488) has the molecular formula C18H21ClF2N4 and a molecular weight of 366.84 g/mol. Its IUPAC name is 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine
PubChem CID90067488
Molecular FormulaC18H21ClF2N4
Molecular Weight366.84 g/mol
Exact Mass366.14
IUPAC Name6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine
SMILESCCN1CCC(c2cc(Cl)nc(Nc3cc(C(F)F)ccn3)c2)CC1
InChIInChI=1S/C18H21ClF2N4/c1-2-25-7-4-12(5-8-25)14-9-15(19)23-17(11-14)24-16-10-13(18(20)21)3-6-22-16/h3,6,9-12,18H,2,4-5,7-8H2,1H3,(H,22,23,24)
InChIKeyGQCVMZFYZJDTJW-UHFFFAOYSA-N
XLogP5.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 89881
CID 89881
CID 49853368
CID 49853368
CID 118701008
CID 118701008
CID 49857488
CID 49857488
CID 90067588
CID 90067588
CID 975620
CID 975620
CID 25294
CID 25294
CID 5330379
CID 5330379
CID 2746266
CID 2746266
CID 21037649
CID 21037649
CID 49853301
CID 49853301
CID 49853307
CID 49853307

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine (CID 90067488) is 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine is CCN1CCC(c2cc(Cl)nc(Nc3cc(C(F)F)ccn3)c2)CC1.
What is the InChIKey of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is GQCVMZFYZJDTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N4/c1-2-25-7-4-12(5-8-25)14-9-15(19)23-17(11-14)24-16-10-13(18(20)21)3-6-22-16/h3,6,9-12,18H,2,4-5,7-8H2,1H3,(H,22,23,24).
What are the key properties of 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine?
6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 366.84 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(difluoromethyl)-2-pyridinyl]-4-(1-ethylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 90067488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).