N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide

C22H25N5O2 — CID 134556674

IUPACN-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide
SMILESCC(C)OCCCNc1nccc(C(=O)Nc2cnccc2-c2ccccc2)n1
InChIInChI=1S/C22H25N5O2/c1-16(2)29-14-6-11-24-22-25-13-10-19(27-22)21(28)26-20-15-23-12-9-18(20)17-7-4-3-5-8-17/h3-5,7-10,12-13,15-16H,6,11,14H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyUMYQEBJOUFJWCS-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.02
Rot. Bonds9

About N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide

N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide (PubChem CID 134556674) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide
PubChem CID134556674
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide
SMILESCC(C)OCCCNc1nccc(C(=O)Nc2cnccc2-c2ccccc2)n1
InChIInChI=1S/C22H25N5O2/c1-16(2)29-14-6-11-24-22-25-13-10-19(27-22)21(28)26-20-15-23-12-9-18(20)17-7-4-3-5-8-17/h3-5,7-10,12-13,15-16H,6,11,14H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyUMYQEBJOUFJWCS-UHFFFAOYSA-N
XLogP4.02
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.02
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

2-(4-methylsulfanylanilino)-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134543081
2-[(6-fluoro-3-pyridinyl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556611
2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
2-[(1-methyltriazol-4-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556719
2-[(3-methyl-1,2-thiazol-5-yl)amino]-N-(4-phenyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 134556717
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089
2-(butylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109296477
N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299706
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide (CID 134556674) is N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide is CC(C)OCCCNc1nccc(C(=O)Nc2cnccc2-c2ccccc2)n1.
What is the InChIKey of N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is UMYQEBJOUFJWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(2)29-14-6-11-24-22-25-13-10-19(27-22)21(28)26-20-15-23-12-9-18(20)17-7-4-3-5-8-17/h3-5,7-10,12-13,15-16H,6,11,14H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide?
N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-3-pyridinyl)-2-(3-propan-2-yloxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 134556674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).