(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide

C16H18N4O2 — CID 125139334

IUPAC(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCOc1nccc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-10-20(14(11)12-6-4-3-5-7-12)16(21)19-13-8-9-17-15(18-13)22-2/h3-9,11,14H,10H2,1-2H3,(H,17,18,19,21)/t11-,14-/m1/s1
InChIKeyNIHVOKAKGVRMKR-BXUZGUMPSA-N
MW298.35 g/mol
LogP2.71
Rot. Bonds3

About (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide

(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide (PubChem CID 125139334) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
PubChem CID125139334
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
SMILESCOc1nccc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-11-10-20(14(11)12-6-4-3-5-7-12)16(21)19-13-8-9-17-15(18-13)22-2/h3-9,11,14H,10H2,1-2H3,(H,17,18,19,21)/t11-,14-/m1/s1
InChIKeyNIHVOKAKGVRMKR-BXUZGUMPSA-N
XLogP2.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252
(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 99774852
(2S,3S)-3-methyl-N-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]-2-phenylazetidine-1-carboxamide
CID 125139517
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139276
(2S,3S)-3-methyl-N-(3-nitro-4-pyridinyl)-2-phenylazetidine-1-carboxamide
CID 99584076
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methoxypyrimidin-4-yl)urea
CID 125139278
(2R,3S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 124568403
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 86799645
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 86799701
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
(2-hydroxyphenyl)-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]methanone
CID 97092730
(2R,3R)-3-methyl-N-(4-methylsulfanylbutyl)-2-phenylazetidine-1-carboxamide
CID 97023951

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
The IUPAC name of (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide (CID 125139334) is (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
The canonical SMILES for (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide is COc1nccc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1.
What is the InChIKey of (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
The InChIKey is NIHVOKAKGVRMKR-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-10-20(14(11)12-6-4-3-5-7-12)16(21)19-13-8-9-17-15(18-13)22-2/h3-9,11,14H,10H2,1-2H3,(H,17,18,19,21)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide?
(2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-methoxypyrimidin-4-yl)-3-methyl-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 125139334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).