2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C19H24F3N7O4 — CID 10073476

IUPAC2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)Nn2cccc2)c(C(F)(F)F)n1
InChIInChI=1S/C19H24F3N7O4/c1-2-3-4-7-13(11-29(33)12-30)16(31)25-26-18-23-10-14(15(24-18)19(20,21)22)17(32)27-28-8-5-6-9-28/h5-6,8-10,12-13,33H,2-4,7,11H2,1H3,(H,25,31)(H,27,32)(H,23,24,26)/t13-/m1/s1
InChIKeyASSZROFADKESAW-CYBMUJFWSA-N
MW471.44 g/mol
LogP2.17
Rot. Bonds12

About 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10073476) has the molecular formula C19H24F3N7O4 and a molecular weight of 471.44 g/mol. Its IUPAC name is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10073476
Molecular FormulaC19H24F3N7O4
Molecular Weight471.44 g/mol
Exact Mass471.18
IUPAC Name2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)Nn2cccc2)c(C(F)(F)F)n1
InChIInChI=1S/C19H24F3N7O4/c1-2-3-4-7-13(11-29(33)12-30)16(31)25-26-18-23-10-14(15(24-18)19(20,21)22)17(32)27-28-8-5-6-9-28/h5-6,8-10,12-13,33H,2-4,7,11H2,1H3,(H,25,31)(H,27,32)(H,23,24,26)/t13-/m1/s1
InChIKeyASSZROFADKESAW-CYBMUJFWSA-N
XLogP2.17
TPSA141.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide 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-[(2R)-2-[[[5-(anilinocarbamoyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10006062
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-piperidin-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10051216
N-(2-fluorophenyl)-2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10097490
N-hydroxy-N-[(2R)-2-[[[5-(piperidine-1-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 10322662
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10345710
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N,N-dimethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10365609
N-tert-butyl-2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10412007
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10480985
N-[2-[[[5-(anilinocarbamoyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 74041543
N-hydroxy-N-[2-[[[5-(piperidine-1-carbonyl)-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide
CID 85109939
2-[amino-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]-N-tert-butyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 87438282
2-[amino-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 150035340

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10073476) is 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncc(C(=O)Nn2cccc2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is ASSZROFADKESAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24F3N7O4/c1-2-3-4-7-13(11-29(33)12-30)16(31)25-26-18-23-10-14(15(24-18)19(20,21)22)17(32)27-28-8-5-6-9-28/h5-6,8-10,12-13,33H,2-4,7,11H2,1H3,(H,25,31)(H,27,32)(H,23,24,26)/t13-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 2.17, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-pyrrol-1-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10073476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).