1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide

C24H27FN6O2 — CID 89456317

IUPAC1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1cc(-c2cnc(C(=O)Nc3cccc(F)c3N3CCC(C(=O)N(C)C)CC3)[nH]2)ccn1
InChIInChI=1S/C24H27FN6O2/c1-15-13-17(7-10-26-15)20-14-27-22(28-20)23(32)29-19-6-4-5-18(25)21(19)31-11-8-16(9-12-31)24(33)30(2)3/h4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,27,28)(H,29,32)
InChIKeyVGPNXTMUBLAPSX-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.48
Rot. Bonds5

About 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide

1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 89456317) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID89456317
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCc1cc(-c2cnc(C(=O)Nc3cccc(F)c3N3CCC(C(=O)N(C)C)CC3)[nH]2)ccn1
InChIInChI=1S/C24H27FN6O2/c1-15-13-17(7-10-26-15)20-14-27-22(28-20)23(32)29-19-6-4-5-18(25)21(19)31-11-8-16(9-12-31)24(33)30(2)3/h4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,27,28)(H,29,32)
InChIKeyVGPNXTMUBLAPSX-UHFFFAOYSA-N
XLogP3.48
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

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Related Compounds

Ins018_055
CID 164938183
5-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyrimidine-2-carboxamide
CID 10024175
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 9862335
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
CID 23562989
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
methyl N-[(1S)-1-[(2S)-2-[5-[3,5-difluoro-4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-2-piperidyl]-1H-imidazol-5-yl]-1-piperidyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 58449433
6-fluoro-3-[5-(pyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980540
6-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980544
6-fluoro-3-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980573
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 20867290
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
Oxo-arpromidine
CID 25149244

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide (CID 89456317) is 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide is Cc1cc(-c2cnc(C(=O)Nc3cccc(F)c3N3CCC(C(=O)N(C)C)CC3)[nH]2)ccn1.
What is the InChIKey of 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is VGPNXTMUBLAPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-15-13-17(7-10-26-15)20-14-27-22(28-20)23(32)29-19-6-4-5-18(25)21(19)31-11-8-16(9-12-31)24(33)30(2)3/h4-7,10,13-14,16H,8-9,11-12H2,1-3H3,(H,27,28)(H,29,32).
What are the key properties of 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 89456317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).