2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

C20H27N5O2 — CID 109300112

IUPAC2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-27-15-5-11-21-20-22-12-10-18(24-20)19(26)23-16-6-8-17(9-7-16)25-13-3-2-4-14-25/h6-10,12H,2-5,11,13-15H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyZCIQAXCSYHJBHR-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.17
Rot. Bonds8

About 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109300112) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109300112
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1nccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H27N5O2/c1-27-15-5-11-21-20-22-12-10-18(24-20)19(26)23-16-6-8-17(9-7-16)25-13-3-2-4-14-25/h6-10,12H,2-5,11,13-15H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyZCIQAXCSYHJBHR-UHFFFAOYSA-N
XLogP3.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.17
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-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109323629
N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307275
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109318438
2-(2,4-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314728
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109343244
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300081

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109300112) is 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is COCCCNc1nccc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZCIQAXCSYHJBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-27-15-5-11-21-20-22-12-10-18(24-20)19(26)23-16-6-8-17(9-7-16)25-13-3-2-4-14-25/h6-10,12H,2-5,11,13-15H2,1H3,(H,23,26)(H,21,22,24).
What are the key properties of 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).