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

C23H25N5O — CID 109313461

IUPAC2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccnc(Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C23H25N5O/c1-17-12-15-28(16-13-17)20-9-7-19(8-10-20)25-22(29)21-11-14-24-23(27-21)26-18-5-3-2-4-6-18/h2-11,14,17H,12-13,15-16H2,1H3,(H,25,29)(H,24,26,27)
InChIKeySBKPLEZBVCFTKF-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.71
Rot. Bonds5

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

2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109313461) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID109313461
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccnc(Nc4ccccc4)n3)cc2)CC1
InChIInChI=1S/C23H25N5O/c1-17-12-15-28(16-13-17)20-9-7-19(8-10-20)25-22(29)21-11-14-24-23(27-21)26-18-5-3-2-4-6-18/h2-11,14,17H,12-13,15-16H2,1H3,(H,25,29)(H,24,26,27)
InChIKeySBKPLEZBVCFTKF-UHFFFAOYSA-N
XLogP4.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
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-4-carboxamide
CID 109299931
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109318438
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide (CID 109313461) is 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccnc(Nc4ccccc4)n3)cc2)CC1.
What is the InChIKey of 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is SBKPLEZBVCFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-12-15-28(16-13-17)20-9-7-19(8-10-20)25-22(29)21-11-14-24-23(27-21)26-18-5-3-2-4-6-18/h2-11,14,17H,12-13,15-16H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109313461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).