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

C20H27N5O2 — CID 109299931

IUPACN-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-15-8-12-25(13-9-15)17-5-3-16(4-6-17)23-20-22-10-7-18(24-20)19(26)21-11-14-27-2/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyLEPVVDKQPQSPJJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.83
Rot. Bonds7

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

N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 109299931) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
PubChem CID109299931
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-15-8-12-25(13-9-15)17-5-3-16(4-6-17)23-20-22-10-7-18(24-20)19(26)21-11-14-27-2/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyLEPVVDKQPQSPJJ-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

2-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109297039
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide
CID 109251444
2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109313461
2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299902
N-butyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109296654
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109297037
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109333268

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide (CID 109299931) is N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide is COCCNC(=O)c1ccnc(Nc2ccc(N3CCC(C)CC3)cc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is LEPVVDKQPQSPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-8-12-25(13-9-15)17-5-3-16(4-6-17)23-20-22-10-7-18(24-20)19(26)21-11-14-27-2/h3-7,10,15H,8-9,11-14H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-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-4-carboxamide is sourced from PubChem (CID 109299931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).