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

C20H19F2N5O2 — CID 135126260

IUPACN-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ccc(OC(F)F)nc4)C3)cc2c1C
InChIInChI=1S/C20H19F2N5O2/c1-11-12(2)25-26-17-5-3-13(7-16(11)17)19(28)24-14-9-27(10-14)15-4-6-18(23-8-15)29-20(21)22/h3-8,14,20H,9-10H2,1-2H3,(H,24,28)
InChIKeySXMYBZUAZDPOJD-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.86
Rot. Bonds5

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

N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 135126260) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID135126260
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC NameN-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ccc(OC(F)F)nc4)C3)cc2c1C
InChIInChI=1S/C20H19F2N5O2/c1-11-12(2)25-26-17-5-3-13(7-16(11)17)19(28)24-14-9-27(10-14)15-4-6-18(23-8-15)29-20(21)22/h3-8,14,20H,9-10H2,1-2H3,(H,24,28)
InChIKeySXMYBZUAZDPOJD-UHFFFAOYSA-N
XLogP2.86
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-amino-N-cyclopropyl-7-fluoro-8-(2,6-dimethoxypyridin-3-yl)cinnoline-3-carboxamide
CID 25183271
ATM Inhibitor-1
CID 130453737
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
CID 138504497
4-amino-8-(4-methoxy-3-pyridyl)-N-propyl-cinnoline-3-carboxamide
CID 23630065
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
CID 145967469
4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide
CID 54581335
N-{2-[(cyclobutylmethyl)carbamoyl]-6-methoxypyridin-3-yl}quinoline-4-carboxamide
CID 57780757
N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135125813
N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
CID 135126273
4-[[(1S)-1-(oxan-4-yl)ethyl]amino]-6-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]cinnoline-3-carboxamide
CID 138504490
N-[4-(difluoromethoxy)phenyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261372
N-(4-Methoxy-2-methylphenyl)-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 1261631

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (CID 135126260) is N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is Cc1nnc2ccc(C(=O)NC3CN(c4ccc(OC(F)F)nc4)C3)cc2c1C.
What is the InChIKey of N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is SXMYBZUAZDPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c1-11-12(2)25-26-17-5-3-13(7-16(11)17)19(28)24-14-9-27(10-14)15-4-6-18(23-8-15)29-20(21)22/h3-8,14,20H,9-10H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(difluoromethoxy)-3-pyridinyl]azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 135126260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).