2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide

C20H19N5OS — CID 139515478

IUPAC2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1ccnc(NSC2CC2)n1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H19N5OS/c26-19(12-17-9-11-22-20(24-17)25-27-18-7-8-18)23-16-5-3-14(4-6-16)15-2-1-10-21-13-15/h1-6,9-11,13,18H,7-8,12H2,(H,23,26)(H,22,24,25)
InChIKeyNLMFUFUAPKZKCI-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.94
Rot. Bonds7

About 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide

2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide (PubChem CID 139515478) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
PubChem CID139515478
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
SMILESO=C(Cc1ccnc(NSC2CC2)n1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H19N5OS/c26-19(12-17-9-11-22-20(24-17)25-27-18-7-8-18)23-16-5-3-14(4-6-16)15-2-1-10-21-13-15/h1-6,9-11,13,18H,7-8,12H2,(H,23,26)(H,22,24,25)
InChIKeyNLMFUFUAPKZKCI-UHFFFAOYSA-N
XLogP3.94
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)acetamide
CID 138701156
trans-(1S,2S)-2-[5-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
CID 69243385
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55868596
1-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-3-(4-pyridin-3-ylphenyl)propan-2-one
CID 157256100
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
N-[4-(5-chloro-3-pyridinyl)phenyl]-2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]acetamide
CID 139513253
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096
2-[2-(cyclobutylsulfanylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139515540
2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-[5-[5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]butanamide
CID 139515421
N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
CID 11625869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide (CID 139515478) is 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide is O=C(Cc1ccnc(NSC2CC2)n1)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
The InChIKey is NLMFUFUAPKZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-19(12-17-9-11-22-20(24-17)25-27-18-7-8-18)23-16-5-3-14(4-6-16)15-2-1-10-21-13-15/h1-6,9-11,13,18H,7-8,12H2,(H,23,26)(H,22,24,25).
What are the key properties of 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide?
2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 139515478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).