N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide

C22H24N4O — CID 97441932

IUPACN,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)N(C)Cc1ccccn1)n2C
InChIInChI=1S/C22H24N4O/c1-15(2)26-18-11-6-5-10-17(18)21-19(26)13-20(25(21)4)22(27)24(3)14-16-9-7-8-12-23-16/h5-13,15H,14H2,1-4H3
InChIKeyRTOJMNUMAUAWTN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.38
Rot. Bonds4

About N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide

N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441932) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441932
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide
SMILESCC(C)n1c2ccccc2c2c1cc(C(=O)N(C)Cc1ccccn1)n2C
InChIInChI=1S/C22H24N4O/c1-15(2)26-18-11-6-5-10-17(18)21-19(26)13-20(25(21)4)22(27)24(3)14-16-9-7-8-12-23-16/h5-13,15H,14H2,1-4H3
InChIKeyRTOJMNUMAUAWTN-UHFFFAOYSA-N
XLogP4.38
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155838473
N-[2-(dimethylamino)ethyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155855918
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441908
4-propan-2-yl-N-(pyridin-3-ylmethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441976
4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43641731
1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxylic acid
CID 124544362
CID 69258575
CID 69258575
4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide (CID 97441932) is N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide is CC(C)n1c2ccccc2c2c1cc(C(=O)N(C)Cc1ccccn1)n2C.
What is the InChIKey of N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is RTOJMNUMAUAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)26-18-11-6-5-10-17(18)21-19(26)13-20(25(21)4)22(27)24(3)14-16-9-7-8-12-23-16/h5-13,15H,14H2,1-4H3.
What are the key properties of N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide?
N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).