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

C20H26FN3O — CID 53160805

IUPACN,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H26FN3O/c1-4-24(5-2)20(25)19-12-16-14-23(11-10-18(16)22(19)3)13-15-6-8-17(21)9-7-15/h6-9,12H,4-5,10-11,13-14H2,1-3H3
InChIKeyJWNYUBWRFNIYLE-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds5

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

N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160805) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160805
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H26FN3O/c1-4-24(5-2)20(25)19-12-16-14-23(11-10-18(16)22(19)3)13-15-6-8-17(21)9-7-15/h6-9,12H,4-5,10-11,13-14H2,1-3H3
InChIKeyJWNYUBWRFNIYLE-UHFFFAOYSA-N
XLogP3.20
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160805) is N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is JWNYUBWRFNIYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-4-24(5-2)20(25)19-12-16-14-23(11-10-18(16)22(19)3)13-15-6-8-17(21)9-7-15/h6-9,12H,4-5,10-11,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).