4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

C23H20N6O — CID 97441858

IUPAC4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NCCc1ccccn1)n2-c1ncccn1
InChIInChI=1S/C23H20N6O/c1-28-18-9-3-2-8-17(18)21-19(28)15-20(29(21)23-26-12-6-13-27-23)22(30)25-14-10-16-7-4-5-11-24-16/h2-9,11-13,15H,10,14H2,1H3,(H,25,30)
InChIKeyIAAJVSUAPDUKQV-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.28
Rot. Bonds5

About 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide

4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97441858) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97441858
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCn1c2ccccc2c2c1cc(C(=O)NCCc1ccccn1)n2-c1ncccn1
InChIInChI=1S/C23H20N6O/c1-28-18-9-3-2-8-17(18)21-19(28)15-20(29(21)23-26-12-6-13-27-23)22(30)25-14-10-16-7-4-5-11-24-16/h2-9,11-13,15H,10,14H2,1H3,(H,25,30)
InChIKeyIAAJVSUAPDUKQV-UHFFFAOYSA-N
XLogP3.28
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide with MolForge

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441870
N-(furan-2-ylmethyl)-4-methyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441859
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
1,4-dimethyl-N-(2-pyridin-3-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide
CID 97441793
1-methyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 29353033
1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
3-(1-methylindol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 71702593
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 71704949
5-amino-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808773
4-(cyclopropylmethyl)-N-(3-morpholin-4-ylpropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361473

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide (CID 97441858) is 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is Cn1c2ccccc2c2c1cc(C(=O)NCCc1ccccn1)n2-c1ncccn1.
What is the InChIKey of 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is IAAJVSUAPDUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-28-18-9-3-2-8-17(18)21-19(28)15-20(29(21)23-26-12-6-13-27-23)22(30)25-14-10-16-7-4-5-11-24-16/h2-9,11-13,15H,10,14H2,1H3,(H,25,30).
What are the key properties of 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide?
4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97441858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).