N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C33H36F2N4O5 — CID 123608782

IUPACN-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(OC)c(F)c5)CC4F)cn3)CC2)cc1
InChIInChI=1S/C33H36F2N4O5/c1-43-25-7-4-22(5-8-25)31(40)23-11-15-39(16-12-23)33(42)29-9-6-24(18-36-29)32(41)37-28-13-14-38(20-27(28)35)19-21-3-10-30(44-2)26(34)17-21/h3-10,17-18,23,27-28H,11-16,19-20H2,1-2H3,(H,37,41)
InChIKeyCRGKIGIGRDDDBN-UHFFFAOYSA-N
MW606.67 g/mol
LogP4.32
Rot. Bonds9

About N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 123608782) has the molecular formula C33H36F2N4O5 and a molecular weight of 606.67 g/mol. Its IUPAC name is N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID123608782
Molecular FormulaC33H36F2N4O5
Molecular Weight606.67 g/mol
Exact Mass606.27
IUPAC NameN-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(OC)c(F)c5)CC4F)cn3)CC2)cc1
InChIInChI=1S/C33H36F2N4O5/c1-43-25-7-4-22(5-8-25)31(40)23-11-15-39(16-12-23)33(42)29-9-6-24(18-36-29)32(41)37-28-13-14-38(20-27(28)35)19-21-3-10-30(44-2)26(34)17-21/h3-10,17-18,23,27-28H,11-16,19-20H2,1-2H3,(H,37,41)
InChIKeyCRGKIGIGRDDDBN-UHFFFAOYSA-N
XLogP4.32
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.67
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Amg 333
CID 71144018
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-methoxyphenyl)pyridine-2-carboxamide
CID 68187495
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
N-[3-(4-Methoxy-benzoylamino)-propyl]-6-methyl-nicotinamide
CID 6498656
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-3-methoxyphenyl]-2-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 16041121

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 123608782) is N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(OC)c(F)c5)CC4F)cn3)CC2)cc1.
What is the InChIKey of N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is CRGKIGIGRDDDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F2N4O5/c1-43-25-7-4-22(5-8-25)31(40)23-11-15-39(16-12-23)33(42)29-9-6-24(18-36-29)32(41)37-28-13-14-38(20-27(28)35)19-21-3-10-30(44-2)26(34)17-21/h3-10,17-18,23,27-28H,11-16,19-20H2,1-2H3,(H,37,41).
What are the key properties of N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 606.67 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 123608782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).