About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250800) has the molecular formula C26H30FN5O4S
and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide |
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| PubChem CID | 121250800 |
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| Molecular Formula | C26H30FN5O4S |
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| Molecular Weight | 527.62 g/mol |
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| Exact Mass | 527.20 |
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| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide |
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| SMILES | CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N(C)CC3CC3)n2)c1 |
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| InChI | InChI=1S/C26H30FN5O4S/c1-16(2)15-36-20-12-18(11-19(27)13-20)22-10-9-21(25(29-22)32(3)14-17-7-8-17)26(33)31-37(34,35)24-6-4-5-23(28)30-24/h4-6,9-13,16-17H,7-8,14-15H2,1-3H3,(H2,28,30)(H,31,33) |
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| InChIKey | QHGFTSLZNIMLGR-UHFFFAOYSA-N |
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| XLogP | 3.86 |
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| TPSA | 127.51 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 527.62 |
| LogP ≤ 5 | 3.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250800) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)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(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)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(C)CC3CC3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is QHGFTSLZNIMLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4S/c1-16(2)15-36-20-12-18(11-19(27)13-20)22-10-9-21(25(29-22)32(3)14-17-7-8-17)26(33)31-37(34,35)24-6-4-5-23(28)30-24/h4-6,9-13,16-17H,7-8,14-15H2,1-3H3,(H2,28,30)(H,31,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[cyclopropylmethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 3.86, 10 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(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).