N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide

C24H32N4O3 — CID 110247769

IUPACN-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(C3CCCCN3C(=O)CC(C)C)nc2C)c1
InChIInChI=1S/C24H32N4O3/c1-16(2)12-22(29)28-11-6-5-10-21(28)23-25-15-20(17(3)27-23)24(30)26-14-18-8-7-9-19(13-18)31-4/h7-9,13,15-16,21H,5-6,10-12,14H2,1-4H3,(H,26,30)
InChIKeyUPIGXVNQHIHHNR-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.82
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide

N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110247769) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110247769
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(C3CCCCN3C(=O)CC(C)C)nc2C)c1
InChIInChI=1S/C24H32N4O3/c1-16(2)12-22(29)28-11-6-5-10-21(28)23-25-15-20(17(3)27-23)24(30)26-14-18-8-7-9-19(13-18)31-4/h7-9,13,15-16,21H,5-6,10-12,14H2,1-4H3,(H,26,30)
InChIKeyUPIGXVNQHIHHNR-UHFFFAOYSA-N
XLogP3.82
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639593
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639588
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92637888
2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639401
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-benzyl-4-methyl-2-[(2R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639592
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
N-benzyl-4-methyl-2-[(2S)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639580
N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068524
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 110247769) is N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide is COc1cccc(CNC(=O)c2cnc(C3CCCCN3C(=O)CC(C)C)nc2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is UPIGXVNQHIHHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-16(2)12-22(29)28-11-6-5-10-21(28)23-25-15-20(17(3)27-23)24(30)26-14-18-8-7-9-19(13-18)31-4/h7-9,13,15-16,21H,5-6,10-12,14H2,1-4H3,(H,26,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110247769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).