N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C17H20ClN5O3S — CID 121253088

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(Cl)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C17H20ClN5O3S/c1-10-6-7-11(2)23(10)16-12(8-9-13(18)20-16)17(24)22-27(25,26)15-5-3-4-14(19)21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11+
InChIKeyJZFNPNMFNVFEGQ-PHIMTYICSA-N
MW409.90 g/mol
LogP2.21
Rot. Bonds4

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121253088) has the molecular formula C17H20ClN5O3S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121253088
Molecular FormulaC17H20ClN5O3S
Molecular Weight409.90 g/mol
Exact Mass409.10
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(Cl)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C17H20ClN5O3S/c1-10-6-7-11(2)23(10)16-12(8-9-13(18)20-16)17(24)22-27(25,26)15-5-3-4-14(19)21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11+
InChIKeyJZFNPNMFNVFEGQ-PHIMTYICSA-N
XLogP2.21
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121253088) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CC[C@H](C)N1c1nc(Cl)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JZFNPNMFNVFEGQ-PHIMTYICSA-N. The full InChI is InChI=1S/C17H20ClN5O3S/c1-10-6-7-11(2)23(10)16-12(8-9-13(18)20-16)17(24)22-27(25,26)15-5-3-4-14(19)21-15/h3-5,8-11H,6-7H2,1-2H3,(H2,19,21)(H,22,24)/t10-,11+.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 409.90 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121253088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).