[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid

C18H19N5O4 — CID 118914009

IUPAC[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid
SMILESCCc1cc(C#N)ccc1Oc1ncc(NC(=O)[C@@H](CC)NC(=O)O)cn1
InChIInChI=1S/C18H19N5O4/c1-3-12-7-11(8-19)5-6-15(12)27-17-20-9-13(10-21-17)22-16(24)14(4-2)23-18(25)26/h5-7,9-10,14,23H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t14-/m1/s1
InChIKeyDZQKNITUXBFHEV-CQSZACIVSA-N
MW369.38 g/mol
LogP2.69
Rot. Bonds7

About [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid

[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid (PubChem CID 118914009) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid
PubChem CID118914009
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid
SMILESCCc1cc(C#N)ccc1Oc1ncc(NC(=O)[C@@H](CC)NC(=O)O)cn1
InChIInChI=1S/C18H19N5O4/c1-3-12-7-11(8-19)5-6-15(12)27-17-20-9-13(10-21-17)22-16(24)14(4-2)23-18(25)26/h5-7,9-10,14,23H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t14-/m1/s1
InChIKeyDZQKNITUXBFHEV-CQSZACIVSA-N
XLogP2.69
TPSA137.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide
CID 123620842
2-[2-(4-cyano-2-methylphenoxy)pyrimidin-5-yl]butanamide
CID 140839818
N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide
CID 163916058
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 71004465
ethyl 2-(3-cyanoanilino)butanoate
CID 64667136
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
2-[(4-cyano-2-pyridinyl)amino]butanoic acid
CID 43470148
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
2-amino-N-[2-(3-ethoxy-4-methylphenoxy)pyrimidin-5-yl]propanamide
CID 77479086
3-[5-(hydroxymethyl)pyrimidin-2-yl]oxy-4-methylbenzonitrile
CID 107659015
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid (CID 118914009) is [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid is CCc1cc(C#N)ccc1Oc1ncc(NC(=O)[C@@H](CC)NC(=O)O)cn1.
What is the InChIKey of [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is DZQKNITUXBFHEV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-3-12-7-11(8-19)5-6-15(12)27-17-20-9-13(10-21-17)22-16(24)14(4-2)23-18(25)26/h5-7,9-10,14,23H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid?
[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 369.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 118914009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).