4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide

C27H27N5O — CID 110084801

IUPAC4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(Cc3cccc4cccnc34)CC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H27N5O/c1-19-24(27(33)31-23-10-3-2-4-11-23)17-29-26(30-19)21-12-15-32(16-13-21)18-22-8-5-7-20-9-6-14-28-25(20)22/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,31,33)
InChIKeyYSGWZMWKHUEPEN-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.97
Rot. Bonds5

About 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide

4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 110084801) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID110084801
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(Cc3cccc4cccnc34)CC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H27N5O/c1-19-24(27(33)31-23-10-3-2-4-11-23)17-29-26(30-19)21-12-15-32(16-13-21)18-22-8-5-7-20-9-6-14-28-25(20)22/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,31,33)
InChIKeyYSGWZMWKHUEPEN-UHFFFAOYSA-N
XLogP4.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808
N-(4-chlorophenyl)-4-methyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110253222
N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 110084861
2-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636697
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
CID 155955800
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110084840
4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639795
4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110084678
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 110084801) is 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCN(Cc3cccc4cccnc34)CC2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is YSGWZMWKHUEPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-19-24(27(33)31-23-10-3-2-4-11-23)17-29-26(30-19)21-12-15-32(16-13-21)18-22-8-5-7-20-9-6-14-28-25(20)22/h2-11,14,17,21H,12-13,15-16,18H2,1H3,(H,31,33).
What are the key properties of 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110084801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).