4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide

C26H28N4O2 — CID 92637317

IUPAC4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-22(26(32)29-21-12-6-3-7-13-21)18-27-25(28-19)23-14-8-9-17-30(23)24(31)16-15-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3,(H,29,32)/t23-/m1/s1
InChIKeyITYCJCLNVRTIGQ-HSZRJFAPSA-N
MW428.54 g/mol
LogP4.72
Rot. Bonds6

About 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide

4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 92637317) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID92637317
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-22(26(32)29-21-12-6-3-7-13-21)18-27-25(28-19)23-14-8-9-17-30(23)24(31)16-15-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3,(H,29,32)/t23-/m1/s1
InChIKeyITYCJCLNVRTIGQ-HSZRJFAPSA-N
XLogP4.72
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110084560
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639795
2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361141
2-[1-(2-ethoxybenzoyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 132779301
2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 92637317) is 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C(=O)CCc2ccccc2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is ITYCJCLNVRTIGQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-22(26(32)29-21-12-6-3-7-13-21)18-27-25(28-19)23-14-8-9-17-30(23)24(31)16-15-20-10-4-2-5-11-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3,(H,29,32)/t23-/m1/s1.
What are the key properties of 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92637317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).