N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen

C26H30FN5O2 — CID 158632897

IUPACN-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCCC(C(N)=O)C2)nc1-c1ccccc1F.[H][H]
InChIInChI=1S/C26H28FN5O2.H2/c1-2-31(16-18-9-4-3-5-10-18)25(34)21-15-29-26(32-14-8-11-19(17-32)24(28)33)30-23(21)20-12-6-7-13-22(20)27;/h3-7,9-10,12-13,15,19H,2,8,11,14,16-17H2,1H3,(H2,28,33);1H
InChIKeyHZKJBLORVFYPTL-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.89
Rot. Bonds7

About N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen

N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 158632897) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen
PubChem CID158632897
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC NameN-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCCC(C(N)=O)C2)nc1-c1ccccc1F.[H][H]
InChIInChI=1S/C26H28FN5O2.H2/c1-2-31(16-18-9-4-3-5-10-18)25(34)21-15-29-26(32-14-8-11-19(17-32)24(28)33)30-23(21)20-12-6-7-13-22(20)27;/h3-7,9-10,12-13,15,19H,2,8,11,14,16-17H2,1H3,(H2,28,33);1H
InChIKeyHZKJBLORVFYPTL-UHFFFAOYSA-N
XLogP3.89
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-benzyl-N-ethyl-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
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2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(2-fluorophenyl)-N-propan-2-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 11534138
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
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CID 159934380
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CID 11620083
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CID 59421327
4-(2-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
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4-(2-fluorophenyl)-N-phenyl-N-propan-2-yl-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen (CID 158632897) is N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen is CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCC(C(N)=O)C2)nc1-c1ccccc1F.[H][H].
What is the InChIKey of N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is HZKJBLORVFYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2.H2/c1-2-31(16-18-9-4-3-5-10-18)25(34)21-15-29-26(32-14-8-11-19(17-32)24(28)33)30-23(21)20-12-6-7-13-22(20)27;/h3-7,9-10,12-13,15,19H,2,8,11,14,16-17H2,1H3,(H2,28,33);1H.
What are the key properties of N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen?
N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 463.56 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-carbamoylpiperidin-1-yl)-N-ethyl-4-(2-fluorophenyl)pyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 158632897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).