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

C23H24N6O3 — CID 92639767

IUPACN-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nc2C)cc1
InChIInChI=1S/C23H24N6O3/c1-15-19(22(30)28-17-5-7-18(32-2)8-6-17)12-26-21(27-15)16-4-3-11-29(14-16)23(31)20-13-24-9-10-25-20/h5-10,12-13,16H,3-4,11,14H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyACMHROWSKMSOOT-MRXNPFEDSA-N
MW432.48 g/mol
LogP2.86
Rot. Bonds5

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

N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 92639767) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID92639767
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nc2C)cc1
InChIInChI=1S/C23H24N6O3/c1-15-19(22(30)28-17-5-7-18(32-2)8-6-17)12-26-21(27-15)16-4-3-11-29(14-16)23(31)20-13-24-9-10-25-20/h5-10,12-13,16H,3-4,11,14H2,1-2H3,(H,28,30)/t16-/m1/s1
InChIKeyACMHROWSKMSOOT-MRXNPFEDSA-N
XLogP2.86
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92640166
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157
2-[(3S)-1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640165
N-(4-methoxyphenyl)-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250655
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808
4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
CID 92639790
N-(4-methoxyphenyl)-4-methyl-2-piperidin-3-ylpyrimidine-5-carboxamide
CID 175662336
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110088656
2-[(3S)-1-benzoylpiperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639400

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide (CID 92639767) is N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc([C@@H]3CCCN(C(=O)c4cnccn4)C3)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is ACMHROWSKMSOOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-15-19(22(30)28-17-5-7-18(32-2)8-6-17)12-26-21(27-15)16-4-3-11-29(14-16)23(31)20-13-24-9-10-25-20/h5-10,12-13,16H,3-4,11,14H2,1-2H3,(H,28,30)/t16-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.86, 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-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92639767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).