N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide

C20H27N5O2 — CID 109251444

IUPACN-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(Nc2ccc(N3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C20H27N5O2/c1-15-7-10-25(11-8-15)18-5-3-17(4-6-18)24-20-22-13-16(14-23-20)19(26)21-9-12-27-2/h3-6,13-15H,7-12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyHOSMGOIUEDSCAN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.83
Rot. Bonds7

About N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide

N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 109251444) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide
PubChem CID109251444
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(Nc2ccc(N3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C20H27N5O2/c1-15-7-10-25(11-8-15)18-5-3-17(4-6-18)24-20-22-13-16(14-23-20)19(26)21-9-12-27-2/h3-6,13-15H,7-12H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyHOSMGOIUEDSCAN-UHFFFAOYSA-N
XLogP2.83
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109299931
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251441
methyl 2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]pyrimidine-5-carboxylate
CID 167777879
2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108988147
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109270345
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide (CID 109251444) is N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide is COCCNC(=O)c1cnc(Nc2ccc(N3CCC(C)CC3)cc2)nc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is HOSMGOIUEDSCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-7-10-25(11-8-15)18-5-3-17(4-6-18)24-20-22-13-16(14-23-20)19(26)21-9-12-27-2/h3-6,13-15H,7-12H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide?
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109251444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).