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

C19H22N4O2 — CID 140704551

IUPACN-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1N
InChIInChI=1S/C19H22N4O2/c1-4-5-17(24)22-16-8-9-18(23-19(16)21)25-14-7-6-13(11-20)15(10-14)12(2)3/h6-10,12H,4-5H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyKBCVBDKHNXWOEZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.19
Rot. Bonds6

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

N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide (PubChem CID 140704551) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide
PubChem CID140704551
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1N
InChIInChI=1S/C19H22N4O2/c1-4-5-17(24)22-16-8-9-18(23-19(16)21)25-14-7-6-13(11-20)15(10-14)12(2)3/h6-10,12H,4-5H2,1-3H3,(H2,21,23)(H,22,24)
InChIKeyKBCVBDKHNXWOEZ-UHFFFAOYSA-N
XLogP4.19
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-6-(4-cyano-3-propan-2-yloxyphenoxy)-3-pyridinyl]butanamide
CID 162785536
N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide
CID 140663631
[(2R)-1-[[6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
CID 70975854
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-[4-[2-(2-cyanophenoxy)propanoylamino]-2-hydroxyphenyl]butanamide
CID 71213819
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420
4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
CID 70975984
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide?
The IUPAC name of N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide (CID 140704551) is N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Oc2ccc(C#N)c(C(C)C)c2)nc1N.
What is the InChIKey of N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide?
The InChIKey is KBCVBDKHNXWOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-5-17(24)22-16-8-9-18(23-19(16)21)25-14-7-6-13(11-20)15(10-14)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-ylphenoxy)-3-pyridinyl]butanamide?
N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide has a molecular weight of 338.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(4-cyano-3-propan-2-ylphenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 140704551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).