4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C19H21N3O — CID 70931081

IUPAC4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCc1cc(C(C)(C)C)ccc1C(=O)Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C19H21N3O/c1-12-9-14(19(2,3)4)5-6-16(12)18(23)22-15-10-13-7-8-20-17(13)21-11-15/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyNCTMIUUNDBDLQN-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.42
Rot. Bonds2

About 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 70931081) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID70931081
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCc1cc(C(C)(C)C)ccc1C(=O)Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C19H21N3O/c1-12-9-14(19(2,3)4)5-6-16(12)18(23)22-15-10-13-7-8-20-17(13)21-11-15/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKeyNCTMIUUNDBDLQN-UHFFFAOYSA-N
XLogP4.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
CID 67007623
tert-butyl 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoate
CID 68919681
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 174936745
4-chloro-1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 24812016
1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67007572
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 22273641
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963
5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 91014188
N-[5-[(5-tert-butylthiophene-2-carbonyl)amino]-2-methylphenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 25121560

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 70931081) is 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is Cc1cc(C(C)(C)C)ccc1C(=O)Nc1cnc2[nH]ccc2c1.
What is the InChIKey of 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is NCTMIUUNDBDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-9-14(19(2,3)4)5-6-16(12)18(23)22-15-10-13-7-8-20-17(13)21-11-15/h5-11H,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 70931081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).