N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C19H26N6O3 — CID 87263961

IUPACN-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2ccccc2N)n1
InChIInChI=1S/C19H26N6O3/c1-2-3-4-7-14(12-25(28)13-26)18(27)23-24-19-21-11-10-17(22-19)15-8-5-6-9-16(15)20/h5-6,8-11,13-14,28H,2-4,7,12,20H2,1H3,(H,23,27)(H,21,22,24)/t14-/m1/s1
InChIKeyHENJEJBRTRKDES-CQSZACIVSA-N
MW386.46 g/mol
LogP2.21
Rot. Bonds11

About N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87263961) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87263961
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2ccccc2N)n1
InChIInChI=1S/C19H26N6O3/c1-2-3-4-7-14(12-25(28)13-26)18(27)23-24-19-21-11-10-17(22-19)15-8-5-6-9-16(15)20/h5-6,8-11,13-14,28H,2-4,7,12,20H2,1H3,(H,23,27)(H,21,22,24)/t14-/m1/s1
InChIKeyHENJEJBRTRKDES-CQSZACIVSA-N
XLogP2.21
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N'-hydroxyoctanediamide;hydrochloride
CID 145980658
N-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N'-hydroxyoctanediamide;hydrochloride
CID 145987566
N-[4-(2-anilinopyrimidin-4-yl)phenyl]-N'-hydroxyoctanediamide
CID 145979161
N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223386
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-((2-isopropylphenyl)(methyl)amino)pyrimidine-5-carboxamide [10]
CID 53339062
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-((2-isopropylphenyl)(methyl)amino)-N-methylpyrimidine-5-carboxamide [18]
CID 53339183
2-(2,6-Dimethylphenylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide
CID 53339306
2-((2,6-dimethylphenyl)amino)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylpyrimidine-5-carboxamide
CID 53339534
US8609678, 2-(2,6-diisopropylphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-N-methylpyrimidine-5-carboxamide [74]
CID 53340195
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(2-methoxypyrimidin-4-yl)benzamide
CID 145227927
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid N'-benzoyl-hydrazide
CID 3223211
N-[(1S,2R)-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]cyclohexyl]benzamide
CID 44778030

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 87263961) is N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nccc(-c2ccccc2N)n1.
What is the InChIKey of N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is HENJEJBRTRKDES-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-2-3-4-7-14(12-25(28)13-26)18(27)23-24-19-21-11-10-17(22-19)15-8-5-6-9-16(15)20/h5-6,8-11,13-14,28H,2-4,7,12,20H2,1H3,(H,23,27)(H,21,22,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 386.46 g/mol, XLogP of 2.21, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[[4-(2-aminophenyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87263961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).