N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide

C18H20N6O2S — CID 154743293

IUPACN-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NCc2cccnc2-n2cccn2)nc1
InChIInChI=1S/C18H20N6O2S/c25-27(26,23-11-14-4-5-14)16-6-7-17(21-13-16)20-12-15-3-1-8-19-18(15)24-10-2-9-22-24/h1-3,6-10,13-14,23H,4-5,11-12H2,(H,20,21)
InChIKeyPVOFENYZWQRACC-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.96
Rot. Bonds8

About N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide

N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide (PubChem CID 154743293) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide
PubChem CID154743293
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NCc2cccnc2-n2cccn2)nc1
InChIInChI=1S/C18H20N6O2S/c25-27(26,23-11-14-4-5-14)16-6-7-17(21-13-16)20-12-15-3-1-8-19-18(15)24-10-2-9-22-24/h1-3,6-10,13-14,23H,4-5,11-12H2,(H,20,21)
InChIKeyPVOFENYZWQRACC-UHFFFAOYSA-N
XLogP1.96
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide (CID 154743293) is N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide is O=S(=O)(NCC1CC1)c1ccc(NCc2cccnc2-n2cccn2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide?
The InChIKey is PVOFENYZWQRACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c25-27(26,23-11-14-4-5-14)16-6-7-17(21-13-16)20-12-15-3-1-8-19-18(15)24-10-2-9-22-24/h1-3,6-10,13-14,23H,4-5,11-12H2,(H,20,21).
What are the key properties of N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide?
N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide has a molecular weight of 384.47 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 154743293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).