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

C19H18FN5O — CID 135126257

IUPACN-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4cccc(F)n4)C3)cc2c1C
InChIInChI=1S/C19H18FN5O/c1-11-12(2)23-24-16-7-6-13(8-15(11)16)19(26)21-14-9-25(10-14)18-5-3-4-17(20)22-18/h3-8,14H,9-10H2,1-2H3,(H,21,26)
InChIKeyJCJPXGAPTMEJPW-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.40
Rot. Bonds3

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

N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 135126257) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID135126257
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC NameN-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4cccc(F)n4)C3)cc2c1C
InChIInChI=1S/C19H18FN5O/c1-11-12(2)23-24-16-7-6-13(8-15(11)16)19(26)21-14-9-25(10-14)18-5-3-4-17(20)22-18/h3-8,14H,9-10H2,1-2H3,(H,21,26)
InChIKeyJCJPXGAPTMEJPW-UHFFFAOYSA-N
XLogP2.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.40
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 N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (CID 135126257) is N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is Cc1nnc2ccc(C(=O)NC3CN(c4cccc(F)n4)C3)cc2c1C.
What is the InChIKey of N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is JCJPXGAPTMEJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-11-12(2)23-24-16-7-6-13(8-15(11)16)19(26)21-14-9-25(10-14)18-5-3-4-17(20)22-18/h3-8,14H,9-10H2,1-2H3,(H,21,26).
What are the key properties of N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 135126257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).