N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide

C21H28N4O5 — CID 87353973

IUPACN-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1C(=O)NC(=O)c1ccncc1
InChIInChI=1S/C21H28N4O5/c26-14-24(30)13-17(12-15-4-1-2-5-15)21(29)25-11-3-6-18(25)20(28)23-19(27)16-7-9-22-10-8-16/h7-10,14-15,17-18,30H,1-6,11-13H2,(H,23,27,28)/t17-,18-/m1/s1
InChIKeyCATQCLHJTQSRHJ-QZTJIDSGSA-N
MW416.48 g/mol
LogP1.37
Rot. Bonds8

About N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide

N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide (PubChem CID 87353973) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide
PubChem CID87353973
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC NameN-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide
SMILESO=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1C(=O)NC(=O)c1ccncc1
InChIInChI=1S/C21H28N4O5/c26-14-24(30)13-17(12-15-4-1-2-5-15)21(29)25-11-3-6-18(25)20(28)23-19(27)16-7-9-22-10-8-16/h7-10,14-15,17-18,30H,1-6,11-13H2,(H,23,27,28)/t17-,18-/m1/s1
InChIKeyCATQCLHJTQSRHJ-QZTJIDSGSA-N
XLogP1.37
TPSA119.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]-2,5-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 88927964
(2S)-1-[(2R)-2-(cyclobutylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]pyrrolidine-2-carboxamide
CID 89331750
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-[(cyclopropanecarbonylamino)methyl]pyrrolidine-2-carboxamide
CID 16755320
(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[4-(4-ethylpiperazin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 88927838
tert-butyl 3-[3-[[(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 143403643
1-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-1-hydroxy-2-pyridinylidene)pyrrolidine-2-carboxamide
CID 16738836
(2S)-N-acetyl-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]pyrrolidine-2-carboxamide
CID 143403622
(3S)-N-(2H-benzotriazol-5-yl)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide
CID 66548080
N-[(2S)-3-[(2S)-2-(1H-benzo[f]benzimidazol-2-yl)pyrrolidin-1-yl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87681314
(2S,4S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 118712594
N-[(2R)-2-(cyclopentylmethyl)-3-[(5S)-5-[2-(3-fluoro-4-pyridinyl)acetyl]-2-methylpyrazolidin-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 159450616
(2S)-1-[2-cyclopentyl-3-[formyl(hydroxy)amino]propanoyl]-N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]pyrrolidine-2-carboxamide
CID 88927987

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide (CID 87353973) is N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide is O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1C(=O)NC(=O)c1ccncc1.
What is the InChIKey of N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide?
The InChIKey is CATQCLHJTQSRHJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H28N4O5/c26-14-24(30)13-17(12-15-4-1-2-5-15)21(29)25-11-3-6-18(25)20(28)23-19(27)16-7-9-22-10-8-16/h7-10,14-15,17-18,30H,1-6,11-13H2,(H,23,27,28)/t17-,18-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide?
N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrrolidine-2-carbonyl]pyridine-4-carboxamide is sourced from PubChem (CID 87353973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).