N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

C24H28FN5O — CID 167839871

IUPACN-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCC(N(C)C)C3)cn2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN5O/c1-16-13-22(17(2)30(16)19-7-5-18(25)6-8-19)24(31)27-23-10-9-20(14-26-23)29-12-11-21(15-29)28(3)4/h5-10,13-14,21H,11-12,15H2,1-4H3,(H,26,27,31)
InChIKeyAKIGGTOAWPGXOG-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.02
Rot. Bonds5

About N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 167839871) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID167839871
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCC(N(C)C)C3)cn2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN5O/c1-16-13-22(17(2)30(16)19-7-5-18(25)6-8-19)24(31)27-23-10-9-20(14-26-23)29-12-11-21(15-29)28(3)4/h5-10,13-14,21H,11-12,15H2,1-4H3,(H,26,27,31)
InChIKeyAKIGGTOAWPGXOG-UHFFFAOYSA-N
XLogP4.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-4-carboxamide
CID 55812719
1-(4-fluorophenyl)-2,5-dimethyl-N-pyridin-4-ylpyrrole-3-carboxamide
CID 39954277
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide
CID 166239841
2-amino-N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-3-(3-fluoro-4-hydroxyphenyl)propanamide
CID 166298881
2-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]acetamide;trihydrochloride
CID 119903679
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903697
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541051
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 5067339
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 120820413
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 167839871) is N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCC(N(C)C)C3)cn2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is AKIGGTOAWPGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-16-13-22(17(2)30(16)19-7-5-18(25)6-8-19)24(31)27-23-10-9-20(14-26-23)29-12-11-21(15-29)28(3)4/h5-10,13-14,21H,11-12,15H2,1-4H3,(H,26,27,31).
What are the key properties of N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 167839871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).