N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide

C19H24N6O3 — CID 87739029

IUPACN-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CN(O)C=O)(C(=O)NNc2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C19H24N6O3/c1-14-4-7-19(8-5-14,12-25(28)13-26)17(27)23-24-18-21-10-6-16(22-18)15-3-2-9-20-11-15/h2-3,6,9-11,13-14,28H,4-5,7-8,12H2,1H3,(H,23,27)(H,21,22,24)
InChIKeyCBEHYVRQPIDFFB-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.03
Rot. Bonds7

About N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide

N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide (PubChem CID 87739029) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide
PubChem CID87739029
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide
SMILESCC1CCC(CN(O)C=O)(C(=O)NNc2nccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C19H24N6O3/c1-14-4-7-19(8-5-14,12-25(28)13-26)17(27)23-24-18-21-10-6-16(22-18)15-3-2-9-20-11-15/h2-3,6,9-11,13-14,28H,4-5,7-8,12H2,1H3,(H,23,27)(H,21,22,24)
InChIKeyCBEHYVRQPIDFFB-UHFFFAOYSA-N
XLogP2.03
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-methyl-1-[(pyrazin-2-ylamino)carbamoyl]cyclohexyl]methyl]formamide
CID 87740588
(3aR,7aR)-2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7212190
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427
N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899139
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432
4-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]benzoic acid
CID 174551670
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide
CID 133110462
2-(2-aminophenyl)-1-[4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]phenyl]ethanone
CID 58102011
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 97444975
N-[(2R)-2-[[[4-(furan-3-yl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264425
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide?
The IUPAC name of N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide (CID 87739029) is N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide.
What is the SMILES notation for N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide?
The canonical SMILES for N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide is CC1CCC(CN(O)C=O)(C(=O)NNc2nccc(-c3cccnc3)n2)CC1.
What is the InChIKey of N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide?
The InChIKey is CBEHYVRQPIDFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-14-4-7-19(8-5-14,12-25(28)13-26)17(27)23-24-18-21-10-6-16(22-18)15-3-2-9-20-11-15/h2-3,6,9-11,13-14,28H,4-5,7-8,12H2,1H3,(H,23,27)(H,21,22,24).
What are the key properties of N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide?
N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide has a molecular weight of 384.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[4-methyl-1-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]carbamoyl]cyclohexyl]methyl]formamide is sourced from PubChem (CID 87739029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).