2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide

C19H25N3O2 — CID 113019828

IUPAC2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C19H25N3O2/c1-13(2)24-16-9-7-6-8-15(16)22-17-11-10-14(12-20-17)21-18(23)19(3,4)5/h6-13H,1-5H3,(H,20,22)(H,21,23)
InChIKeyXLEWUVJHKUATNM-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.60
Rot. Bonds5

About 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide

2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide (PubChem CID 113019828) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
PubChem CID113019828
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C19H25N3O2/c1-13(2)24-16-9-7-6-8-15(16)22-17-11-10-14(12-20-17)21-18(23)19(3,4)5/h6-13H,1-5H3,(H,20,22)(H,21,23)
InChIKeyXLEWUVJHKUATNM-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
2-ethyl-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]butanamide
CID 113034496
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
5-(dimethylsulfamoylamino)-2-(2-propan-2-yloxyanilino)pyridine
CID 113019877
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109287277
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034522

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide (CID 113019828) is 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide is CC(C)Oc1ccccc1Nc1ccc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
The InChIKey is XLEWUVJHKUATNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)24-16-9-7-6-8-15(16)22-17-11-10-14(12-20-17)21-18(23)19(3,4)5/h6-13H,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide?
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113019828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).