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

C20H25N5O — CID 109295672

IUPAC2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccnc(NC4CC4)n3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-14-9-12-25(13-10-14)17-6-4-15(5-7-17)22-19(26)18-8-11-21-20(24-18)23-16-2-3-16/h4-8,11,14,16H,2-3,9-10,12-13H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyIQTJGGMLOUQKDC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.54
Rot. Bonds5

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

2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109295672) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID109295672
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccnc(NC4CC4)n3)cc2)CC1
InChIInChI=1S/C20H25N5O/c1-14-9-12-25(13-10-14)17-6-4-15(5-7-17)22-19(26)18-8-11-21-20(24-18)23-16-2-3-16/h4-8,11,14,16H,2-3,9-10,12-13H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyIQTJGGMLOUQKDC-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.54
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-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109313461
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
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
N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide (CID 109295672) is 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccnc(NC4CC4)n3)cc2)CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is IQTJGGMLOUQKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-9-12-25(13-10-14)17-6-4-15(5-7-17)22-19(26)18-8-11-21-20(24-18)23-16-2-3-16/h4-8,11,14,16H,2-3,9-10,12-13H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).