1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide

C25H34N4O — CID 68805052

IUPAC1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12
InChIInChI=1S/C25H34N4O/c1-7-8-9-18(3)26-24(30)21-16-29(25(4,5)6)23-20(21)14-15-22(28-23)27-19-12-10-17(2)11-13-19/h10-16,18H,7-9H2,1-6H3,(H,26,30)(H,27,28)
InChIKeyVPDAWOGYSFYTOM-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.15
Rot. Bonds7

About 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide

1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 68805052) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID68805052
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12
InChIInChI=1S/C25H34N4O/c1-7-8-9-18(3)26-24(30)21-16-29(25(4,5)6)23-20(21)14-15-22(28-23)27-19-12-10-17(2)11-13-19/h10-16,18H,7-9H2,1-6H3,(H,26,30)(H,27,28)
InChIKeyVPDAWOGYSFYTOM-UHFFFAOYSA-N
XLogP6.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 68805971
1-tert-butyl-6-(4-methylanilino)-N-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69193001
1-tert-butyl-6-[(4-methylbenzoyl)amino]-N-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69026441
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]butanamide
CID 50748313
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide
CID 59001405
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 78768315
3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
7-tert-butyl-N-(2-ethoxyethyl)-2-[(4-methylbenzoyl)amino]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 68801106

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 68805052) is 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide is CCCCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(Nc3ccc(C)cc3)ccc12.
What is the InChIKey of 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VPDAWOGYSFYTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-7-8-9-18(3)26-24(30)21-16-29(25(4,5)6)23-20(21)14-15-22(28-23)27-19-12-10-17(2)11-13-19/h10-16,18H,7-9H2,1-6H3,(H,26,30)(H,27,28).
What are the key properties of 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 68805052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).