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

C21H29FN4O — CID 53160796

IUPACN-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C21H29FN4O/c1-24(2)11-4-10-23-21(27)20-13-17-15-26(12-9-19(17)25(20)3)14-16-5-7-18(22)8-6-16/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,23,27)
InChIKeySEAXNHFXLHGOJW-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.40
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160796) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160796
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC NameN-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C21H29FN4O/c1-24(2)11-4-10-23-21(27)20-13-17-15-26(12-9-19(17)25(20)3)14-16-5-7-18(22)8-6-16/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,23,27)
InChIKeySEAXNHFXLHGOJW-UHFFFAOYSA-N
XLogP2.40
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160796) is N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is SEAXNHFXLHGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-24(2)11-4-10-23-21(27)20-13-17-15-26(12-9-19(17)25(20)3)14-16-5-7-18(22)8-6-16/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,23,27).
What are the key properties of N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).