N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide

C18H20N4O4 — CID 91770875

IUPACN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)cn1
InChIInChI=1S/C18H20N4O4/c1-11-20-8-13(9-21-11)18(24)22-15-6-7-25-10-16(15)26-14-4-2-12(3-5-14)17(19)23/h2-5,8-9,15-16H,6-7,10H2,1H3,(H2,19,23)(H,22,24)/t15-,16-/m1/s1
InChIKeyGNILKHOFCYHFJO-HZPDHXFCSA-N
MW356.38 g/mol
LogP0.85
Rot. Bonds5

About N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide (PubChem CID 91770875) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
PubChem CID91770875
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)cn1
InChIInChI=1S/C18H20N4O4/c1-11-20-8-13(9-21-11)18(24)22-15-6-7-25-10-16(15)26-14-4-2-12(3-5-14)17(19)23/h2-5,8-9,15-16H,6-7,10H2,1H3,(H2,19,23)(H,22,24)/t15-,16-/m1/s1
InChIKeyGNILKHOFCYHFJO-HZPDHXFCSA-N
XLogP0.85
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
CID 91788390
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-1-ethylpyrazole-4-carboxamide
CID 91786321
4-[(3S,4R)-4-[(2-ethylpyrimidine-5-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91791344
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 91789429
N'-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-N-methylbutanediamide
CID 91780513
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91763682
4-[(3S,4R)-4-(3-methylsulfanylpropanoylamino)oxan-3-yl]oxybenzamide
CID 91797995
4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
CID 91780929
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022
4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
CID 91771131
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide (CID 91770875) is N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)cn1.
What is the InChIKey of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is GNILKHOFCYHFJO-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-20-8-13(9-21-11)18(24)22-15-6-7-25-10-16(15)26-14-4-2-12(3-5-14)17(19)23/h2-5,8-9,15-16H,6-7,10H2,1H3,(H2,19,23)(H,22,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide?
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 91770875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).