6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C21H23N5O2 — CID 112853302

IUPAC6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-28-12-6-11-23-19-13-18(21(27)24-15-16-7-5-10-22-14-16)25-20(26-19)17-8-3-2-4-9-17/h2-5,7-10,13-14H,6,11-12,15H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyLFVWLAWPLBBQND-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.92
Rot. Bonds9

About 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 112853302) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID112853302
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-28-12-6-11-23-19-13-18(21(27)24-15-16-7-5-10-22-14-16)25-20(26-19)17-8-3-2-4-9-17/h2-5,7-10,13-14H,6,11-12,15H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyLFVWLAWPLBBQND-UHFFFAOYSA-N
XLogP2.92
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170109
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112853309

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 112853302) is 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is COCCCNc1cc(C(=O)NCc2cccnc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is LFVWLAWPLBBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-12-6-11-23-19-13-18(21(27)24-15-16-7-5-10-22-14-16)25-20(26-19)17-8-3-2-4-9-17/h2-5,7-10,13-14H,6,11-12,15H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112853302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).