N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide

C22H26FN3O2 — CID 66883960

IUPACN-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
SMILESCc1cn(Cc2ccc(F)cc2)c(C(=O)NCCCN(C)C)c1-c1ccco1
InChIInChI=1S/C22H26FN3O2/c1-16-14-26(15-17-7-9-18(23)10-8-17)21(20(16)19-6-4-13-28-19)22(27)24-11-5-12-25(2)3/h4,6-10,13-14H,5,11-12,15H2,1-3H3,(H,24,27)
InChIKeyMWYPJMXAVWDKRK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.93
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide

N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide (PubChem CID 66883960) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
PubChem CID66883960
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
SMILESCc1cn(Cc2ccc(F)cc2)c(C(=O)NCCCN(C)C)c1-c1ccco1
InChIInChI=1S/C22H26FN3O2/c1-16-14-26(15-17-7-9-18(23)10-8-17)21(20(16)19-6-4-13-28-19)22(27)24-11-5-12-25(2)3/h4,6-10,13-14H,5,11-12,15H2,1-3H3,(H,24,27)
InChIKeyMWYPJMXAVWDKRK-UHFFFAOYSA-N
XLogP3.93
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.93
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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Related Compounds

N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
N-[(3S)-3-[(3-ethoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 59475183
methyl 1-{2-[(2-furylmethyl)amino]-2-oxoethyl}-1H-indole-3-carboxylate
CID 952055
4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1485172
2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 72696908
2-(3-Acetyl-indol-1-yl)-N-furan-2-ylmethyl-acetamide
CID 951645
N-[2-(2-fluorophenyl)ethyl]-5-(furan-3-yl)pyridine-2-carboxamide
CID 155535208
1-{1-[(Furan-2-ylmethyl)-carbamoyl]-ethyl}-1H-indole-3-carboxylic acid methyl ester
CID 646855
4-[4-(tert-butyl)benzoyl]-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1485119
N-(2-furylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 1485173

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide (CID 66883960) is N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide is Cc1cn(Cc2ccc(F)cc2)c(C(=O)NCCCN(C)C)c1-c1ccco1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The InChIKey is MWYPJMXAVWDKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-14-26(15-17-7-9-18(23)10-8-17)21(20(16)19-6-4-13-28-19)22(27)24-11-5-12-25(2)3/h4,6-10,13-14H,5,11-12,15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide is sourced from PubChem (CID 66883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).