N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide

C19H18ClN5O4S — CID 121250910

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)n1
InChIInChI=1S/C19H18ClN5O4S/c1-3-29-16-10-11(2)9-14(23-16)13-7-6-12(17(20)24-13)19(26)25-30(27,28)15-5-4-8-22-18(15)21/h4-10H,3H2,1-2H3,(H2,21,22)(H,25,26)
InChIKeyIHLNXVMAVGZGCK-UHFFFAOYSA-N
MW447.90 g/mol
LogP2.60
Rot. Bonds6

About N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 121250910) has the molecular formula C19H18ClN5O4S and a molecular weight of 447.90 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID121250910
Molecular FormulaC19H18ClN5O4S
Molecular Weight447.90 g/mol
Exact Mass447.08
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)n1
InChIInChI=1S/C19H18ClN5O4S/c1-3-29-16-10-11(2)9-14(23-16)13-7-6-12(17(20)24-13)19(26)25-30(27,28)15-5-4-8-22-18(15)21/h4-10H,3H2,1-2H3,(H2,21,22)(H,25,26)
InChIKeyIHLNXVMAVGZGCK-UHFFFAOYSA-N
XLogP2.60
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 121250910) is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide is CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)n1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is IHLNXVMAVGZGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S/c1-3-29-16-10-11(2)9-14(23-16)13-7-6-12(17(20)24-13)19(26)25-30(27,28)15-5-4-8-22-18(15)21/h4-10H,3H2,1-2H3,(H2,21,22)(H,25,26).
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 447.90 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).