N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide

C22H23ClN6O2 — CID 110084844

IUPACN-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(C(=O)c3cn[nH]c3C)CC2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN6O2/c1-13-18(21(30)27-17-5-3-16(23)4-6-17)11-24-20(26-13)15-7-9-29(10-8-15)22(31)19-12-25-28-14(19)2/h3-6,11-12,15H,7-10H2,1-2H3,(H,25,28)(H,27,30)
InChIKeyKSMJMQNBQZAYJA-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.74
Rot. Bonds4

About N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide

N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 110084844) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID110084844
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC NameN-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(C(=O)c3cn[nH]c3C)CC2)ncc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN6O2/c1-13-18(21(30)27-17-5-3-16(23)4-6-17)11-24-20(26-13)15-7-9-29(10-8-15)22(31)19-12-25-28-14(19)2/h3-6,11-12,15H,7-10H2,1-2H3,(H,25,28)(H,27,30)
InChIKeyKSMJMQNBQZAYJA-UHFFFAOYSA-N
XLogP3.74
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110084840
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
2-[1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088679
N-(4-chlorophenyl)-2-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 92636404
N-(4-chlorophenyl)-4-methyl-2-[1-(2-morpholin-4-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250685
N-(4-chlorophenyl)-4-methyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250665
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827
N-(4-chlorophenyl)-4-methyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110253222
N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639417
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 110084844) is N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCN(C(=O)c3cn[nH]c3C)CC2)ncc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is KSMJMQNBQZAYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-13-18(21(30)27-17-5-3-16(23)4-6-17)11-24-20(26-13)15-7-9-29(10-8-15)22(31)19-12-25-28-14(19)2/h3-6,11-12,15H,7-10H2,1-2H3,(H,25,28)(H,27,30).
What are the key properties of N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide?
N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110084844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).