N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide

C19H26ClN5O4 — CID 77137106

IUPACN-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide
SMILESO=CN(O)CC(CC1CCCC1)C(=O)N1NCCC1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C19H26ClN5O4/c20-16-6-3-7-17(22-16)23-18(27)15-8-9-21-25(15)19(28)14(11-24(29)12-26)10-13-4-1-2-5-13/h3,6-7,12-15,21,29H,1-2,4-5,8-11H2,(H,22,23,27)
InChIKeyLDMPSPAITKRAGJ-UHFFFAOYSA-N
MW423.90 g/mol
LogP1.82
Rot. Bonds8

About N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide

N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide (PubChem CID 77137106) has the molecular formula C19H26ClN5O4 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide
PubChem CID77137106
Molecular FormulaC19H26ClN5O4
Molecular Weight423.90 g/mol
Exact Mass423.17
IUPAC NameN-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide
SMILESO=CN(O)CC(CC1CCCC1)C(=O)N1NCCC1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C19H26ClN5O4/c20-16-6-3-7-17(22-16)23-18(27)15-8-9-21-25(15)19(28)14(11-24(29)12-26)10-13-4-1-2-5-13/h3,6-7,12-15,21,29H,1-2,4-5,8-11H2,(H,22,23,27)
InChIKeyLDMPSPAITKRAGJ-UHFFFAOYSA-N
XLogP1.82
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide (CID 77137106) is N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide is O=CN(O)CC(CC1CCCC1)C(=O)N1NCCC1C(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide?
The InChIKey is LDMPSPAITKRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O4/c20-16-6-3-7-17(22-16)23-18(27)15-8-9-21-25(15)19(28)14(11-24(29)12-26)10-13-4-1-2-5-13/h3,6-7,12-15,21,29H,1-2,4-5,8-11H2,(H,22,23,27).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide?
N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 77137106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).