N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

C24H26F2N4O — CID 55949930

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)n1-c1ccccn1
InChIInChI=1S/C24H26F2N4O/c1-16-13-20(17(2)30(16)23-5-3-4-10-27-23)24(31)28-19-8-11-29(12-9-19)15-18-6-7-21(25)22(26)14-18/h3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,28,31)
InChIKeyOPEBCPOUVMPZTM-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.16
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 55949930) has the molecular formula C24H26F2N4O and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID55949930
Molecular FormulaC24H26F2N4O
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)n1-c1ccccn1
InChIInChI=1S/C24H26F2N4O/c1-16-13-20(17(2)30(16)23-5-3-4-10-27-23)24(31)28-19-8-11-29(12-9-19)15-18-6-7-21(25)22(26)14-18/h3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,28,31)
InChIKeyOPEBCPOUVMPZTM-UHFFFAOYSA-N
XLogP4.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55949549
2,5-dimethyl-1-pyrazin-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 136554741
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55991329
N-[3-(4-benzylpiperazin-1-yl)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634446
2,5-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901581
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2,5-dimethyl-1-pyrazin-2-ylpyrrole-3-carboxamide
CID 154765295
2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120600445
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide (CID 55949930) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(C)n1-c1ccccn1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is OPEBCPOUVMPZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O/c1-16-13-20(17(2)30(16)23-5-3-4-10-27-23)24(31)28-19-8-11-29(12-9-19)15-18-6-7-21(25)22(26)14-18/h3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 55949930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).