N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide

C18H23N3O2 — CID 109153038

IUPACN-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C18H23N3O2/c1-13(2)14-4-7-16(8-5-14)21-17-9-6-15(12-20-17)18(22)19-10-11-23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyXPFZAIQYBKYDAC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.32
Rot. Bonds7

About N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide

N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109153038) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109153038
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C18H23N3O2/c1-13(2)14-4-7-16(8-5-14)21-17-9-6-15(12-20-17)18(22)19-10-11-23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyXPFZAIQYBKYDAC-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
methyl 4-[[5-(3-methylbutylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161262
N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183921
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
methyl 2-[[6-(4-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163056
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
6-(3,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109160931

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 109153038) is N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide is COCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nc1.
What is the InChIKey of N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is XPFZAIQYBKYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)14-4-7-16(8-5-14)21-17-9-6-15(12-20-17)18(22)19-10-11-23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109153038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).