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

C20H20ClN5O2 — CID 135125813

IUPACN-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCOc1cc(N2CC(NC(=O)c3ccc4nnc(C)c(C)c4c3)C2)c(Cl)cn1
InChIInChI=1S/C20H20ClN5O2/c1-11-12(2)24-25-17-5-4-13(6-15(11)17)20(27)23-14-9-26(10-14)18-7-19(28-3)22-8-16(18)21/h4-8,14H,9-10H2,1-3H3,(H,23,27)
InChIKeyPIAJWVKYPWXIEB-UHFFFAOYSA-N
MW397.87 g/mol
LogP2.92
Rot. Bonds4

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

N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (PubChem CID 135125813) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
PubChem CID135125813
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC NameN-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
SMILESCOc1cc(N2CC(NC(=O)c3ccc4nnc(C)c(C)c4c3)C2)c(Cl)cn1
InChIInChI=1S/C20H20ClN5O2/c1-11-12(2)24-25-17-5-4-13(6-15(11)17)20(27)23-14-9-26(10-14)18-7-19(28-3)22-8-16(18)21/h4-8,14H,9-10H2,1-3H3,(H,23,27)
InChIKeyPIAJWVKYPWXIEB-UHFFFAOYSA-N
XLogP2.92
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide with MolForge

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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-(3-chloro-5-cyano-2-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
CID 135125807
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
CID 135126264
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide
CID 146110445
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
CID 86965528
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-4-methylbenzamide;2,4,6-trichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]benzamide
CID 159324609
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91888020
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The IUPAC name of N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide (CID 135125813) is N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is COc1cc(N2CC(NC(=O)c3ccc4nnc(C)c(C)c4c3)C2)c(Cl)cn1.
What is the InChIKey of N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
The InChIKey is PIAJWVKYPWXIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-11-12(2)24-25-17-5-4-13(6-15(11)17)20(27)23-14-9-26(10-14)18-7-19(28-3)22-8-16(18)21/h4-8,14H,9-10H2,1-3H3,(H,23,27).
What are the key properties of N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide?
N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide is sourced from PubChem (CID 135125813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).