3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide

C19H19BrN4O — CID 46435446

IUPAC3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(N3CCCC3)nc2)c(Br)c2ccccc21
InChIInChI=1S/C19H19BrN4O/c1-23-15-7-3-2-6-14(15)17(20)18(23)19(25)22-13-8-9-16(21-12-13)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,25)
InChIKeyAOGDLRVKWJUBSH-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.19
Rot. Bonds3

About 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide

3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide (PubChem CID 46435446) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
PubChem CID46435446
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(N3CCCC3)nc2)c(Br)c2ccccc21
InChIInChI=1S/C19H19BrN4O/c1-23-15-7-3-2-6-14(15)17(20)18(23)19(25)22-13-8-9-16(21-12-13)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,25)
InChIKeyAOGDLRVKWJUBSH-UHFFFAOYSA-N
XLogP4.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide
CID 55665645
3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 46435453
3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide
CID 55824808
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
2-(3-methyl-4-oxophthalazin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 17460529
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
2-(4-oxocinnolin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853339
2-(4-oxoquinolin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 51126832
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
3-(methoxymethyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 51319285

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide (CID 46435446) is 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(N3CCCC3)nc2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
The InChIKey is AOGDLRVKWJUBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-23-15-7-3-2-6-14(15)17(20)18(23)19(25)22-13-8-9-16(21-12-13)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,22,25).
What are the key properties of 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide?
3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 46435446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).