6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide

C19H23N5O2 — CID 109342093

IUPAC6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)NC3CCCCC3)ncn2)c1
InChIInChI=1S/C19H23N5O2/c1-13(25)22-15-8-5-9-16(10-15)23-18-11-17(20-12-21-18)19(26)24-14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7H2,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyMFXDJTBONQIMMS-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.24
Rot. Bonds5

About 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide

6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide (PubChem CID 109342093) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
PubChem CID109342093
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)NC3CCCCC3)ncn2)c1
InChIInChI=1S/C19H23N5O2/c1-13(25)22-15-8-5-9-16(10-15)23-18-11-17(20-12-21-18)19(26)24-14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7H2,1H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyMFXDJTBONQIMMS-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

N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
methyl 3-[[6-(cyclopentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109341519
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[6-(azepane-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109355648
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
methyl 4-[[6-(cyclohexylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109342097

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide (CID 109342093) is 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)NC3CCCCC3)ncn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
The InChIKey is MFXDJTBONQIMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(25)22-15-8-5-9-16(10-15)23-18-11-17(20-12-21-18)19(26)24-14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7H2,1H3,(H,22,25)(H,24,26)(H,20,21,23).
What are the key properties of 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide?
6-(3-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 6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide is sourced from PubChem (CID 109342093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).