N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide

C24H28N4O2 — CID 69028594

IUPACN-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4)cn(C(C)(C)C)c3n2)cc1
InChIInChI=1S/C24H28N4O2/c1-16-7-9-17(10-8-16)22(29)26-20-12-11-18-19(23(30)27-13-5-6-14-27)15-28(21(18)25-20)24(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26,29)
InChIKeyMGSFKCRUSGZPDK-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.59
Rot. Bonds3

About N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide

N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide (PubChem CID 69028594) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide
PubChem CID69028594
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4)cn(C(C)(C)C)c3n2)cc1
InChIInChI=1S/C24H28N4O2/c1-16-7-9-17(10-8-16)22(29)26-20-12-11-18-19(23(30)27-13-5-6-14-27)15-28(21(18)25-20)24(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26,29)
InChIKeyMGSFKCRUSGZPDK-UHFFFAOYSA-N
XLogP4.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methylbenzoyl)amino]-N-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69026441
N-(7-tert-butyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)-4-methylbenzamide
CID 143686382
N-[4-tert-butyl-6-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyrrolo[2,3-d][1,3]thiazol-2-yl]-4-methylbenzamide
CID 59001365
1-tert-butyl-N-hexan-2-yl-6-(4-methylanilino)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 68805052
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
7-tert-butyl-N-(2-ethoxyethyl)-2-[(4-methylbenzoyl)amino]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 68801106
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 171352339
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016

Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide?
The IUPAC name of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide (CID 69028594) is N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(C(=O)N4CCCC4)cn(C(C)(C)C)c3n2)cc1.
What is the InChIKey of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide?
The InChIKey is MGSFKCRUSGZPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-7-9-17(10-8-16)22(29)26-20-12-11-18-19(23(30)27-13-5-6-14-27)15-28(21(18)25-20)24(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,25,26,29).
What are the key properties of N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide?
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide is sourced from PubChem (CID 69028594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).