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

C20H26FN3O — CID 53160802

IUPAC5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCCN(C)C(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H26FN3O/c1-4-10-22(2)20(25)19-12-16-14-24(11-9-18(16)23(19)3)13-15-5-7-17(21)8-6-15/h5-8,12H,4,9-11,13-14H2,1-3H3
InChIKeyVOKDFOUIQHTDCS-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds5

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

5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160802) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160802
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCCN(C)C(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C20H26FN3O/c1-4-10-22(2)20(25)19-12-16-14-24(11-9-18(16)23(19)3)13-15-5-7-17(21)8-6-15/h5-8,12H,4,9-11,13-14H2,1-3H3
InChIKeyVOKDFOUIQHTDCS-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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Related Compounds

N-butyl-N,1-dimethyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160724
1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213216
5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 155926291
5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160790
1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160740
5-[(2-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213218
5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160831
5-[(3-fluorophenyl)methyl]-1-methyl-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160810
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
5-benzyl-N-ethyl-1-methyl-N-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97442624
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 39358153
3-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-1-[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]propan-1-one
CID 18620976

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160802) is 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is CCCN(C)C(=O)c1cc2c(n1C)CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is VOKDFOUIQHTDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-4-10-22(2)20(25)19-12-16-14-24(11-9-18(16)23(19)3)13-15-5-7-17(21)8-6-15/h5-8,12H,4,9-11,13-14H2,1-3H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-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 5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).