N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide

C19H22N4O3 — CID 162785536

IUPACN-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(C#N)c(OC(C)C)c2)nc1N
InChIInChI=1S/C19H22N4O3/c1-4-5-17(24)22-15-8-9-18(23-19(15)21)26-14-7-6-13(11-20)16(10-14)25-12(2)3/h6-10,12H,4-5H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyYJVLJPNKHZJEDJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.85
Rot. Bonds7

About N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide

N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide (PubChem CID 162785536) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide
PubChem CID162785536
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(C#N)c(OC(C)C)c2)nc1N
InChIInChI=1S/C19H22N4O3/c1-4-5-17(24)22-15-8-9-18(23-19(15)21)26-14-7-6-13(11-20)16(10-14)25-12(2)3/h6-10,12H,4-5H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyYJVLJPNKHZJEDJ-UHFFFAOYSA-N
XLogP3.85
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide
CID 140704551
N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide
CID 140663631
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205
tert-butyl N-[1-[[6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]amino]butan-2-yl]carbamate
CID 123432180
N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide
CID 71213819
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
CID 70975984
N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 11610382
4-[6-(4-cyano-3-methoxyphenoxy)-3-pyridinyl]butanamide
CID 123746182
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 141478656
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide?
The IUPAC name of N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide (CID 162785536) is N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Oc2ccc(C#N)c(OC(C)C)c2)nc1N.
What is the InChIKey of N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide?
The InChIKey is YJVLJPNKHZJEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-5-17(24)22-15-8-9-18(23-19(15)21)26-14-7-6-13(11-20)16(10-14)25-12(2)3/h6-10,12H,4-5H2,1-3H3,(H2,21,23)(H,22,24).
What are the key properties of N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide?
N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide has a molecular weight of 354.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 162785536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).