N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C20H27FN4O — CID 53160798

IUPACN-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H27FN4O/c1-23(2)11-9-22-20(26)19-12-16-14-25(10-8-18(16)24(19)3)13-15-4-6-17(21)7-5-15/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,26)
InChIKeyFNRWBYDBSZYNCW-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160798) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160798
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H27FN4O/c1-23(2)11-9-22-20(26)19-12-16-14-25(10-8-18(16)24(19)3)13-15-4-6-17(21)7-5-15/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,26)
InChIKeyFNRWBYDBSZYNCW-UHFFFAOYSA-N
XLogP2.01
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160798) is N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is FNRWBYDBSZYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-23(2)11-9-22-20(26)19-12-16-14-25(10-8-18(16)24(19)3)13-15-4-6-17(21)7-5-15/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).