N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide

C18H18N4O2 — CID 155954668

IUPACN-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide
SMILESCOC1(c2ccccc2)CN(C(=O)Nc2cnc(C)c(C#N)c2)C1
InChIInChI=1S/C18H18N4O2/c1-13-14(9-19)8-16(10-20-13)21-17(23)22-11-18(12-22,24-2)15-6-4-3-5-7-15/h3-8,10H,11-12H2,1-2H3,(H,21,23)
InChIKeyUPCAUIMIYXIPKT-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.65
Rot. Bonds3

About N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide

N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide (PubChem CID 155954668) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide
PubChem CID155954668
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide
SMILESCOC1(c2ccccc2)CN(C(=O)Nc2cnc(C)c(C#N)c2)C1
InChIInChI=1S/C18H18N4O2/c1-13-14(9-19)8-16(10-20-13)21-17(23)22-11-18(12-22,24-2)15-6-4-3-5-7-15/h3-8,10H,11-12H2,1-2H3,(H,21,23)
InChIKeyUPCAUIMIYXIPKT-UHFFFAOYSA-N
XLogP2.65
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]carbamate
CID 155201986
N-[5-[5-cyano-6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-sulfanylbenzamide
CID 155216156
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide
CID 166245286
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
4-benzamido-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-1-carboxamide
CID 86993976
1-[[3-cyano-4-(trifluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122092750
N-(3-cyano-4-propoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100744658
3-[(3-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122249293
1-(5-cyano-6-methylpyridine-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119112051
5-amino-N-(2-cyanophenyl)-2-methylpyridine-3-carboxamide
CID 54913836
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide?
The IUPAC name of N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide (CID 155954668) is N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide?
The canonical SMILES for N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide is COC1(c2ccccc2)CN(C(=O)Nc2cnc(C)c(C#N)c2)C1.
What is the InChIKey of N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide?
The InChIKey is UPCAUIMIYXIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-14(9-19)8-16(10-20-13)21-17(23)22-11-18(12-22,24-2)15-6-4-3-5-7-15/h3-8,10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide?
N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-6-methyl-3-pyridinyl)-3-methoxy-3-phenylazetidine-1-carboxamide is sourced from PubChem (CID 155954668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).