6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide

C19H22N4O — CID 68669781

IUPAC6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc(Cn2ccc3cc(N)ccc32)n1
InChIInChI=1S/C19H22N4O/c1-19(2,3)22-18(24)16-6-4-5-15(21-16)12-23-10-9-13-11-14(20)7-8-17(13)23/h4-11H,12,20H2,1-3H3,(H,22,24)
InChIKeyUAAFWJPYBXRJMJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.20
Rot. Bonds3

About 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide

6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide (PubChem CID 68669781) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
PubChem CID68669781
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc(Cn2ccc3cc(N)ccc32)n1
InChIInChI=1S/C19H22N4O/c1-19(2,3)22-18(24)16-6-4-5-15(21-16)12-23-10-9-13-11-14(20)7-8-17(13)23/h4-11H,12,20H2,1-3H3,(H,22,24)
InChIKeyUAAFWJPYBXRJMJ-UHFFFAOYSA-N
XLogP3.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903722
6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909478
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
3-[(5-aminoindazol-1-yl)methyl]-N-tert-butylbenzamide
CID 68669237
1-[(6-methyl-2-pyridinyl)methyl]indole-5-carbothioamide
CID 107920643
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
N-tert-butyl-6-(dimethylamino)pyridine-2-carboxamide
CID 84575074
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
1-[(3-iodophenyl)methyl]indol-5-amine
CID 156881409
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
CID 116623121
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948

Frequently Asked Questions

What is the IUPAC name of 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide?
The IUPAC name of 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide (CID 68669781) is 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide?
The canonical SMILES for 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide is CC(C)(C)NC(=O)c1cccc(Cn2ccc3cc(N)ccc32)n1.
What is the InChIKey of 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide?
The InChIKey is UAAFWJPYBXRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2,3)22-18(24)16-6-4-5-15(21-16)12-23-10-9-13-11-14(20)7-8-17(13)23/h4-11H,12,20H2,1-3H3,(H,22,24).
What are the key properties of 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide?
6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide is sourced from PubChem (CID 68669781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).