N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

C19H25N3O2 — CID 109151752

IUPACN-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C19H25N3O2/c1-4-5-12-20-19(23)15-10-11-18(21-13-15)22-16-8-6-7-9-17(16)24-14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPVCOCFADPCHGNH-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.14
Rot. Bonds8

About N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109151752) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109151752
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C19H25N3O2/c1-4-5-12-20-19(23)15-10-11-18(21-13-15)22-16-8-6-7-9-17(16)24-14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyPVCOCFADPCHGNH-UHFFFAOYSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.14
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-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498
6-(2-bromoanilino)-N-pentylpyridine-3-carboxamide
CID 109161449
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913
6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109162030
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
N-butyl-6-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109151740
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109151752) is N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2ccccc2OC(C)C)nc1.
What is the InChIKey of N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is PVCOCFADPCHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-5-12-20-19(23)15-10-11-18(21-13-15)22-16-8-6-7-9-17(16)24-14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109151752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).