N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C18H21ClN4O2 — CID 109264466

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCC(C)C3)nc2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-12-4-3-7-23(11-12)18-20-9-13(10-21-18)17(24)22-14-5-6-16(25-2)15(19)8-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,24)
InChIKeyUTIOSNZAVFMYAW-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.63
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109264466) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID109264466
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCC(C)C3)nc2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-12-4-3-7-23(11-12)18-20-9-13(10-21-18)17(24)22-14-5-6-16(25-2)15(19)8-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,24)
InChIKeyUTIOSNZAVFMYAW-UHFFFAOYSA-N
XLogP3.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264475
N-(3-bromophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264504
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
N-(3-chloro-4-methoxyphenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50841248
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266324
N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275297
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109257408
3,5-dimethoxy-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]benzamide
CID 113015617
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 109264466) is N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCCC(C)C3)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is UTIOSNZAVFMYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-4-3-7-23(11-12)18-20-9-13(10-21-18)17(24)22-14-5-6-16(25-2)15(19)8-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).