6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C21H29N3O2 — CID 109153085

IUPAC6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C21H29N3O2/c1-14(2)17-7-6-8-18(15(3)4)20(17)24-19-10-9-16(13-23-19)21(25)22-11-12-26-5/h6-10,13-15H,11-12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyAJRMMLCDGLNCGB-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.45
Rot. Bonds8

About 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109153085) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109153085
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C21H29N3O2/c1-14(2)17-7-6-8-18(15(3)4)20(17)24-19-10-9-16(13-23-19)21(25)22-11-12-26-5/h6-10,13-15H,11-12H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyAJRMMLCDGLNCGB-UHFFFAOYSA-N
XLogP4.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.45
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

N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109151740
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
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
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
N-(3-methoxypropyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109167064
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153082

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109153085) is 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1.
What is the InChIKey of 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is AJRMMLCDGLNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-14(2)17-7-6-8-18(15(3)4)20(17)24-19-10-9-16(13-23-19)21(25)22-11-12-26-5/h6-10,13-15H,11-12H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).