N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide

C20H17ClF3N5O — CID 135126274

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ncc(C(F)(F)F)cc4Cl)C3)cc2c1C
InChIInChI=1S/C20H17ClF3N5O/c1-10-11(2)27-28-17-4-3-12(5-15(10)17)19(30)26-14-8-29(9-14)18-16(21)6-13(7-25-18)20(22,23)24/h3-7,14H,8-9H2,1-2H3,(H,26,30)
InChIKeyYYJZPCXTYMIKGW-UHFFFAOYSA-N
MW435.84 g/mol
LogP3.93
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 135126274) has the molecular formula C20H17ClF3N5O and a molecular weight of 435.84 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID135126274
Molecular FormulaC20H17ClF3N5O
Molecular Weight435.84 g/mol
Exact Mass435.11
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ncc(C(F)(F)F)cc4Cl)C3)cc2c1C
InChIInChI=1S/C20H17ClF3N5O/c1-10-11(2)27-28-17-4-3-12(5-15(10)17)19(30)26-14-8-29(9-14)18-16(21)6-13(7-25-18)20(22,23)24/h3-7,14H,8-9H2,1-2H3,(H,26,30)
InChIKeyYYJZPCXTYMIKGW-UHFFFAOYSA-N
XLogP3.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.84
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (CID 135126274) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is Cc1nnc2ccc(C(=O)NC3CN(c4ncc(C(F)(F)F)cc4Cl)C3)cc2c1C.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is YYJZPCXTYMIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5O/c1-10-11(2)27-28-17-4-3-12(5-15(10)17)19(30)26-14-8-29(9-14)18-16(21)6-13(7-25-18)20(22,23)24/h3-7,14H,8-9H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 435.84 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 135126274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).