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

C19H17ClFN5O — CID 135126262

IUPACN-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)cc2c1C
InChIInChI=1S/C19H17ClFN5O/c1-10-11(2)24-25-17-4-3-12(5-15(10)17)19(27)23-14-8-26(9-14)18-16(21)6-13(20)7-22-18/h3-7,14H,8-9H2,1-2H3,(H,23,27)
InChIKeyXRAYBFPNLYEBLF-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.05
Rot. Bonds3

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

N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 135126262) has the molecular formula C19H17ClFN5O and a molecular weight of 385.83 g/mol. Its IUPAC name is N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID135126262
Molecular FormulaC19H17ClFN5O
Molecular Weight385.83 g/mol
Exact Mass385.11
IUPAC NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)cc2c1C
InChIInChI=1S/C19H17ClFN5O/c1-10-11(2)24-25-17-4-3-12(5-15(10)17)19(27)23-14-8-26(9-14)18-16(21)6-13(20)7-22-18/h3-7,14H,8-9H2,1-2H3,(H,23,27)
InChIKeyXRAYBFPNLYEBLF-UHFFFAOYSA-N
XLogP3.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (CID 135126262) is N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is Cc1nnc2ccc(C(=O)NC3CN(c4ncc(Cl)cc4F)C3)cc2c1C.
What is the InChIKey of N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is XRAYBFPNLYEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O/c1-10-11(2)24-25-17-4-3-12(5-15(10)17)19(27)23-14-8-26(9-14)18-16(21)6-13(20)7-22-18/h3-7,14H,8-9H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-3-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 135126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).