N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

C17H21N3O2 — CID 86985414

IUPACN-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C17H21N3O2/c1-12(2)22-16-10-5-13(11-18-16)17(21)19-14-6-8-15(9-7-14)20(3)4/h5-12H,1-4H3,(H,19,21)
InChIKeyBDVVLUIOKYMLKP-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 86985414) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID86985414
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cn1
InChIInChI=1S/C17H21N3O2/c1-12(2)22-16-10-5-13(11-18-16)17(21)19-14-6-8-15(9-7-14)20(3)4/h5-12H,1-4H3,(H,19,21)
InChIKeyBDVVLUIOKYMLKP-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 46460087
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 62241267
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
CID 109263032
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 86985414) is N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is BDVVLUIOKYMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)22-16-10-5-13(11-18-16)17(21)19-14-6-8-15(9-7-14)20(3)4/h5-12H,1-4H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 86985414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).