N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide

C24H30N4O2 — CID 68805971

IUPACN-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ccc12
InChIInChI=1S/C24H30N4O2/c1-7-16(3)25-23(30)19-14-28(24(4,5)6)21-18(19)12-13-20(26-21)27-22(29)17-10-8-15(2)9-11-17/h8-14,16H,7H2,1-6H3,(H,25,30)(H,26,27,29)
InChIKeyXYEWLSPUDNFGJC-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.88
Rot. Bonds5

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

N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 68805971) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID68805971
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ccc12
InChIInChI=1S/C24H30N4O2/c1-7-16(3)25-23(30)19-14-28(24(4,5)6)21-18(19)12-13-20(26-21)27-22(29)17-10-8-15(2)9-11-17/h8-14,16H,7H2,1-6H3,(H,25,30)(H,26,27,29)
InChIKeyXYEWLSPUDNFGJC-UHFFFAOYSA-N
XLogP4.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-tert-butyl-6-[(4-methylbenzoyl)amino]-N-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69026441
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide
CID 69028594
1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 68805052
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 69028720
7-tert-butyl-N-(2-ethoxyethyl)-2-[(4-methylbenzoyl)amino]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 68801106
N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide
CID 143686382
4-tert-butyl-2-[(4-methylbenzoyl)amino]-N-pentylpyrrolo[2,3-d][1,3]thiazole-6-carboxamide
CID 59001405
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide (CID 68805971) is N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide is CCC(C)NC(=O)c1cn(C(C)(C)C)c2nc(NC(=O)c3ccc(C)cc3)ccc12.
What is the InChIKey of N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is XYEWLSPUDNFGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-7-16(3)25-23(30)19-14-28(24(4,5)6)21-18(19)12-13-20(26-21)27-22(29)17-10-8-15(2)9-11-17/h8-14,16H,7H2,1-6H3,(H,25,30)(H,26,27,29).
What are the key properties of N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide?
N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 68805971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).