methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate

C23H23FN6O3 — CID 67267625

IUPACmethyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C23H23FN6O3/c1-33-22(32)18-13-27-23(25)29-20(18)30-9-7-17(8-10-30)28-21(31)15-5-6-19(26-12-15)14-3-2-4-16(24)11-14/h2-6,11-13,17H,7-10H2,1H3,(H,28,31)(H2,25,27,29)
InChIKeyUKVCTWHWNIXFBZ-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate

methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate (PubChem CID 67267625) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate
PubChem CID67267625
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Namemethyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(N)nc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C23H23FN6O3/c1-33-22(32)18-13-27-23(25)29-20(18)30-9-7-17(8-10-30)28-21(31)15-5-6-19(26-12-15)14-3-2-4-16(24)11-14/h2-6,11-13,17H,7-10H2,1H3,(H,28,31)(H2,25,27,29)
InChIKeyUKVCTWHWNIXFBZ-UHFFFAOYSA-N
XLogP2.45
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate with MolForge

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Related Compounds

N-[1-[5-(3,4-dimethoxyphenyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268728
6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268045
6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268386
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268244
6-(3-fluorophenyl)-N-[1-[1-(1-methylcyclopropyl)propan-2-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267505
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
6-(3-fluorophenyl)-N-[1-[5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24991043
N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267282
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268693
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate (CID 67267625) is methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate is COC(=O)c1cnc(N)nc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate?
The InChIKey is UKVCTWHWNIXFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-33-22(32)18-13-27-23(25)29-20(18)30-9-7-17(8-10-30)28-21(31)15-5-6-19(26-12-15)14-3-2-4-16(24)11-14/h2-6,11-13,17H,7-10H2,1H3,(H,28,31)(H2,25,27,29).
What are the key properties of methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate?
methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate is sourced from PubChem (CID 67267625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).