6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide

C21H29N5O2 — CID 109343244

IUPAC6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)ncn1
InChIInChI=1S/C21H29N5O2/c1-16-8-11-26(12-9-16)18-6-4-17(5-7-18)25-21(27)19-14-20(24-15-23-19)22-10-3-13-28-2/h4-7,14-16H,3,8-13H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyZDKLSRHMAFMLIM-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.41
Rot. Bonds8

About 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide

6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109343244) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID109343244
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)ncn1
InChIInChI=1S/C21H29N5O2/c1-16-8-11-26(12-9-16)18-6-4-17(5-7-18)25-21(27)19-14-20(24-15-23-19)22-10-3-13-28-2/h4-7,14-16H,3,8-13H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyZDKLSRHMAFMLIM-UHFFFAOYSA-N
XLogP3.41
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.41
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-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108988147
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
5-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109186215
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109300112
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide (CID 109343244) is 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)ncn1.
What is the InChIKey of 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is ZDKLSRHMAFMLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-8-11-26(12-9-16)18-6-4-17(5-7-18)25-21(27)19-14-20(24-15-23-19)22-10-3-13-28-2/h4-7,14-16H,3,8-13H2,1-2H3,(H,25,27)(H,22,23,24).
What are the key properties of 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide?
6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109343244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).