N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide

C22H25N5O2 — CID 11661113

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CO)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C22H25N5O2/c1-15-6-7-16(21(29)25-12-22(2,3)13-28)11-19(15)27-20-17(5-4-9-24-20)18-8-10-23-14-26-18/h4-11,14,28H,12-13H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyUYGUZWZSUMQJSE-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.34
Rot. Bonds7

About N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide

N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide (PubChem CID 11661113) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
PubChem CID11661113
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CO)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C22H25N5O2/c1-15-6-7-16(21(29)25-12-22(2,3)13-28)11-19(15)27-20-17(5-4-9-24-20)18-8-10-23-14-26-18/h4-11,14,28H,12-13H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyUYGUZWZSUMQJSE-UHFFFAOYSA-N
XLogP3.34
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 11662975
dimethyl-[3-[3-[[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzoyl]amino]-5-(trifluoromethyl)phenyl]propyl]azanium
CID 24916922
4-fluoro-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzoic acid
CID 66970398
2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide
CID 58396513
N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 58588361
N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methylphenyl]-3-pyrimidin-4-ylpyridin-2-amine
CID 58396237
4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]-N-[3-(pyrrolidin-2-ylmethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 76824396
2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide
CID 58588303
3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587779
N-[3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 58587769
4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
CID 58396537
1-N-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-4-methyl-3-N-(3-pyrimidin-4-yl-2-pyridinyl)benzene-1,3-diamine
CID 143140213

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide (CID 11661113) is N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide is Cc1ccc(C(=O)NCC(C)(C)CO)cc1Nc1ncccc1-c1ccncn1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
The InChIKey is UYGUZWZSUMQJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-6-7-16(21(29)25-12-22(2,3)13-28)11-19(15)27-20-17(5-4-9-24-20)18-8-10-23-14-26-18/h4-11,14,28H,12-13H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide?
N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide has a molecular weight of 391.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 11661113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).