N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C27H30FN3O3 — CID 67268285

IUPACN-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1cc(C)cc(OC)c1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C27H30FN3O3/c1-18-13-25(33-2)23(26(14-18)34-3)17-31-11-9-22(10-12-31)30-27(32)20-7-8-24(29-16-20)19-5-4-6-21(28)15-19/h4-8,13-16,22H,9-12,17H2,1-3H3,(H,30,32)
InChIKeyRYOSGVYFUFRFSB-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.61
Rot. Bonds7

About N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67268285) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67268285
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1cc(C)cc(OC)c1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C27H30FN3O3/c1-18-13-25(33-2)23(26(14-18)34-3)17-31-11-9-22(10-12-31)30-27(32)20-7-8-24(29-16-20)19-5-4-6-21(28)15-19/h4-8,13-16,22H,9-12,17H2,1-3H3,(H,30,32)
InChIKeyRYOSGVYFUFRFSB-UHFFFAOYSA-N
XLogP4.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(Dimethylamino)methyl]-3,5-Dimethoxy-Phenyl]-2-Methyl-2,7-Naphthyridin-1-One
CID 118796358
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6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
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N-(1-((2,6-diethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
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ROCK inhibitor-2
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4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
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CID 168276974
4-fluoro-3-[2-(3-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
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CID 155510829
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
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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
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67268285) is N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is COc1cc(C)cc(OC)c1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is RYOSGVYFUFRFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-18-13-25(33-2)23(26(14-18)34-3)17-31-11-9-22(10-12-31)30-27(32)20-7-8-24(29-16-20)19-5-4-6-21(28)15-19/h4-8,13-16,22H,9-12,17H2,1-3H3,(H,30,32).
What are the key properties of N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67268285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).