4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide

C21H24N4O — CID 55533564

IUPAC4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3ccnc(N4CCCC4)c3)[nH]c2c1
InChIInChI=1S/C21H24N4O/c1-14-9-15(2)17-12-19(24-18(17)10-14)21(26)23-13-16-5-6-22-20(11-16)25-7-3-4-8-25/h5-6,9-12,24H,3-4,7-8,13H2,1-2H3,(H,23,26)
InChIKeyVKYNGTYVPJMOLO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.71
Rot. Bonds4

About 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide

4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide (PubChem CID 55533564) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
PubChem CID55533564
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3ccnc(N4CCCC4)c3)[nH]c2c1
InChIInChI=1S/C21H24N4O/c1-14-9-15(2)17-12-19(24-18(17)10-14)21(26)23-13-16-5-6-22-20(11-16)25-7-3-4-8-25/h5-6,9-12,24H,3-4,7-8,13H2,1-2H3,(H,23,26)
InChIKeyVKYNGTYVPJMOLO-UHFFFAOYSA-N
XLogP3.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
CID 71888974
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 35859565
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 132970218
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753456
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide (CID 55533564) is 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NCc3ccnc(N4CCCC4)c3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is VKYNGTYVPJMOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-9-15(2)17-12-19(24-18(17)10-14)21(26)23-13-16-5-6-22-20(11-16)25-7-3-4-8-25/h5-6,9-12,24H,3-4,7-8,13H2,1-2H3,(H,23,26).
What are the key properties of 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide?
4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55533564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).