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

C20H17ClN6O — CID 135125807

IUPACN-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)cc2c1C
InChIInChI=1S/C20H17ClN6O/c1-11-12(2)25-26-18-4-3-14(6-16(11)18)20(28)24-15-9-27(10-15)19-17(21)5-13(7-22)8-23-19/h3-6,8,15H,9-10H2,1-2H3,(H,24,28)
InChIKeyIFYUHWDEWAPWJY-UHFFFAOYSA-N
MW392.85 g/mol
LogP2.79
Rot. Bonds3

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

N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 135125807) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID135125807
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC NameN-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCc1nnc2ccc(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)cc2c1C
InChIInChI=1S/C20H17ClN6O/c1-11-12(2)25-26-18-4-3-14(6-16(11)18)20(28)24-15-9-27(10-15)19-17(21)5-13(7-22)8-23-19/h3-6,8,15H,9-10H2,1-2H3,(H,24,28)
InChIKeyIFYUHWDEWAPWJY-UHFFFAOYSA-N
XLogP2.79
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-chloro-5-fluoro-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135125802
N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135125813
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993639
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
N-[1-(4-bromo-3-fluoro-2-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
CID 135125812
methyl 2-(3-chloro-5-cyano-2-pyridinyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133449808
5-chloro-6-[3-(phenylcarbamoylamino)azetidin-1-yl]pyridine-3-carboxylic acid
CID 141193609
2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
CID 135126264
5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide
CID 59427454
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide
CID 146110445
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547
3-chloro-N-[4-[(4-cyano-2-pyridinyl)amino]cyclohexyl]-4-fluorobenzamide;hydrochloride
CID 69245072

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (CID 135125807) is N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is Cc1nnc2ccc(C(=O)NC3CN(c4ncc(C#N)cc4Cl)C3)cc2c1C.
What is the InChIKey of N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is IFYUHWDEWAPWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-11-12(2)25-26-18-4-3-14(6-16(11)18)20(28)24-15-9-27(10-15)19-17(21)5-13(7-22)8-23-19/h3-6,8,15H,9-10H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 135125807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).