N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide

C16H19N5O3 — CID 121187588

IUPACN-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Nc3ncccn3)C2)cc(OC)c1
InChIInChI=1S/C16H19N5O3/c1-23-13-6-11(7-14(8-13)24-2)20-16(22)21-9-12(10-21)19-15-17-4-3-5-18-15/h3-8,12H,9-10H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyVEFIEJXXWHXJTG-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.82
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide

N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide (PubChem CID 121187588) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
PubChem CID121187588
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CC(Nc3ncccn3)C2)cc(OC)c1
InChIInChI=1S/C16H19N5O3/c1-23-13-6-11(7-14(8-13)24-2)20-16(22)21-9-12(10-21)19-15-17-4-3-5-18-15/h3-8,12H,9-10H2,1-2H3,(H,20,22)(H,17,18,19)
InChIKeyVEFIEJXXWHXJTG-UHFFFAOYSA-N
XLogP1.82
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187581
N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187574
N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 4994104
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
CID 96542823
N-(3,5-dimethoxyphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286550
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 71849001
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
1-[(3-bromo-5-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
CID 82859262

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide (CID 121187588) is N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide is COc1cc(NC(=O)N2CC(Nc3ncccn3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
The InChIKey is VEFIEJXXWHXJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-23-13-6-11(7-14(8-13)24-2)20-16(22)21-9-12(10-21)19-15-17-4-3-5-18-15/h3-8,12H,9-10H2,1-2H3,(H,20,22)(H,17,18,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide is sourced from PubChem (CID 121187588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).