2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide

C19H23N5O2 — CID 109298906

IUPAC2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)21-15-7-9-16(10-8-15)23-19-20-12-11-17(24-19)18(26)22-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyRDLKYMSCGIKGOJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide

2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide (PubChem CID 109298906) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
PubChem CID109298906
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13(25)21-15-7-9-16(10-8-15)23-19-20-12-11-17(24-19)18(26)22-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyRDLKYMSCGIKGOJ-UHFFFAOYSA-N
XLogP3.24
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859
N-cyclohexyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298869
N-cyclopentyl-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109298177
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide (CID 109298906) is 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2nccc(C(=O)NC3CCCCC3)n2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
The InChIKey is RDLKYMSCGIKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(25)21-15-7-9-16(10-8-15)23-19-20-12-11-17(24-19)18(26)22-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,21,25)(H,22,26)(H,20,23,24).
What are the key properties of 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide is sourced from PubChem (CID 109298906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).