N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C28H34FN5O4S — CID 121250804

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250804) has the molecular formula C28H34FN5O4S and a molecular weight of 555.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121250804
• Molecular Formula: C28H34FN5O4S
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N(CC3CC3)C(C)C)n2)c1
• InChI: InChI=1S/C28H34FN5O4S/c1-17(2)16-38-22-13-20(12-21(29)14-22)24-11-10-23(27(31-24)34(18(3)4)15-19-8-9-19)28(35)33-39(36,37)26-7-5-6-25(30)32-26/h5-7,10-14,17-19H,8-9,15-16H2,1-4H3,(H2,30,32)(H,33,35)
• InChIKey: BLUFAJFASLSOOV-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250804) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N(CC3CC3)C(C)C)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is BLUFAJFASLSOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O4S/c1-17(2)16-38-22-13-20(12-21(29)14-22)24-11-10-23(27(31-24)34(18(3)4)15-19-8-9-19)28(35)33-39(36,37)26-7-5-6-25(30)32-26/h5-7,10-14,17-19H,8-9,15-16H2,1-4H3,(H2,30,32)(H,33,35).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).