N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide

C24H30N4O4 — CID 163916058

IUPACN-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide
SMILESCCC(NC(O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2C2CC2)nc1
InChIInChI=1S/C24H30N4O4/c1-5-19(28-23(30)32-24(2,3)4)22(29)27-17-9-11-21(26-14-17)31-20-10-6-15(13-25)12-18(20)16-7-8-16/h6,9-12,14,16,19,23,28,30H,5,7-8H2,1-4H3,(H,27,29)
InChIKeyQWIMUXQNYXTECF-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.02
Rot. Bonds9

About N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide

N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide (PubChem CID 163916058) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide.

Molecular Properties

Compound NameN-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide
PubChem CID163916058
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide
SMILESCCC(NC(O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2C2CC2)nc1
InChIInChI=1S/C24H30N4O4/c1-5-19(28-23(30)32-24(2,3)4)22(29)27-17-9-11-21(26-14-17)31-20-10-6-15(13-25)12-18(20)16-7-8-16/h6,9-12,14,16,19,23,28,30H,5,7-8H2,1-4H3,(H,27,29)
InChIKeyQWIMUXQNYXTECF-UHFFFAOYSA-N
XLogP4.02
TPSA116.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide with MolForge

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Related Compounds

tert-butyl N-[2-(4-cyano-2-cyclopropylphenoxy)ethyl]carbamate
CID 170995630
tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 71004465
[(2R)-1-[[2-(4-cyano-2-ethylphenoxy)pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamic acid
CID 118914009
N-[2-(2-tert-butyl-4-cyanophenoxy)pyrimidin-5-yl]-2-ethyl-3,3-dimethylbutanamide
CID 123620842
3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
CID 53241113
2-(4-cyano-2-cyclopropylphenoxy)acetic acid
CID 118394569
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
tert-butyl N-[1-(4-cyanoanilino)-4-cyclopropyl-1-oxobutan-2-yl]carbamate
CID 170156000
4-[[5-[(4R)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]-3-methylbenzonitrile
CID 53241406
tert-butyl (3S)-3-[[6-[(3-ethyl-1,3-dihydro-2-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]pentanoate
CID 153230184
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide?
The IUPAC name of N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide (CID 163916058) is N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide.
What is the SMILES notation for N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide?
The canonical SMILES for N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide is CCC(NC(O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2C2CC2)nc1.
What is the InChIKey of N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide?
The InChIKey is QWIMUXQNYXTECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-19(28-23(30)32-24(2,3)4)22(29)27-17-9-11-21(26-14-17)31-20-10-6-15(13-25)12-18(20)16-7-8-16/h6,9-12,14,16,19,23,28,30H,5,7-8H2,1-4H3,(H,27,29).
What are the key properties of N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide?
N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide has a molecular weight of 438.53 g/mol, XLogP of 4.02, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-cyano-2-cyclopropylphenoxy)-3-pyridinyl]-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butanamide is sourced from PubChem (CID 163916058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).