N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide

C18H22N4O2 — CID 131912526

IUPACN-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cncnc2C)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H22N4O2/c1-11-8-13(6-7-15(11)22-17(24)18(3,4)5)21-16(23)14-9-19-10-20-12(14)2/h6-10H,1-5H3,(H,21,23)(H,22,24)
InChIKeyMAHQDZHIVNKSRX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.33
Rot. Bonds3

About N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide

N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 131912526) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
PubChem CID131912526
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cncnc2C)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H22N4O2/c1-11-8-13(6-7-15(11)22-17(24)18(3,4)5)21-16(23)14-9-19-10-20-12(14)2/h6-10H,1-5H3,(H,21,23)(H,22,24)
InChIKeyMAHQDZHIVNKSRX-UHFFFAOYSA-N
XLogP3.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110863958
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
CID 131904571
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-hydroxy-3-methoxybenzamide
CID 50956569
N-[2-(ethylamino)-4-isocyanophenyl]-4-methylpyrimidine-5-carboxamide
CID 140883883
3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]benzamide
CID 131941645
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
CID 119945361
N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
CID 134878844
methyl 4-chloro-3-[(4-methylpyrimidine-5-carbonyl)amino]benzoate
CID 110861800
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215
N-(4-acetamido-3-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 46421778

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide (CID 131912526) is N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cncnc2C)ccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is MAHQDZHIVNKSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-8-13(6-7-15(11)22-17(24)18(3,4)5)21-16(23)14-9-19-10-20-12(14)2/h6-10H,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide?
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 131912526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).