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

C24H26N6O3 — CID 110084827

IUPACN-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4cnc(C)cn4)CC3)nc2C)cc1
InChIInChI=1S/C24H26N6O3/c1-15-12-26-21(14-25-15)24(32)30-10-8-17(9-11-30)22-27-13-20(16(2)28-22)23(31)29-18-4-6-19(33-3)7-5-18/h4-7,12-14,17H,8-11H2,1-3H3,(H,29,31)
InChIKeyPTYUETDDXJOKHL-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.16
Rot. Bonds5

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

N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 110084827) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID110084827
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4cnc(C)cn4)CC3)nc2C)cc1
InChIInChI=1S/C24H26N6O3/c1-15-12-26-21(14-25-15)24(32)30-10-8-17(9-11-30)22-27-13-20(16(2)28-22)23(31)29-18-4-6-19(33-3)7-5-18/h4-7,12-14,17H,8-11H2,1-3H3,(H,29,31)
InChIKeyPTYUETDDXJOKHL-UHFFFAOYSA-N
XLogP3.16
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639767
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157
N-(4-methoxyphenyl)-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250655
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92640166
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640165
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
2-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636697
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110088656
N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide
CID 175662336
N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084844
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 110084827) is N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4cnc(C)cn4)CC3)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is PTYUETDDXJOKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-12-26-21(14-25-15)24(32)30-10-8-17(9-11-30)22-27-13-20(16(2)28-22)23(31)29-18-4-6-19(33-3)7-5-18/h4-7,12-14,17H,8-11H2,1-3H3,(H,29,31).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110084827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).