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

C27H35N7O3S — CID 121252522

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)CN(C)c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1
InChIInChI=1S/C27H35N7O3S/c1-17(2)16-33(5)24-14-11-20(15-29-24)22-13-12-21(26(30-22)34-18(3)9-10-19(34)4)27(35)32-38(36,37)25-8-6-7-23(28)31-25/h6-8,11-15,17-19H,9-10,16H2,1-5H3,(H2,28,31)(H,32,35)/t18-,19+
InChIKeyNYUITLMXMLPDLU-KDURUIRLSA-N
MW537.69 g/mol
LogP3.71
Rot. Bonds8

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 121252522) has the molecular formula C27H35N7O3S and a molecular weight of 537.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID121252522
Molecular FormulaC27H35N7O3S
Molecular Weight537.69 g/mol
Exact Mass537.25
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide
SMILESCC(C)CN(C)c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1
InChIInChI=1S/C27H35N7O3S/c1-17(2)16-33(5)24-14-11-20(15-29-24)22-13-12-21(26(30-22)34-18(3)9-10-19(34)4)27(35)32-38(36,37)25-8-6-7-23(28)31-25/h6-8,11-15,17-19H,9-10,16H2,1-5H3,(H2,28,31)(H,32,35)/t18-,19+
InChIKeyNYUITLMXMLPDLU-KDURUIRLSA-N
XLogP3.71
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.69
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide (CID 121252522) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide is CC(C)CN(C)c1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is NYUITLMXMLPDLU-KDURUIRLSA-N. The full InChI is InChI=1S/C27H35N7O3S/c1-17(2)16-33(5)24-14-11-20(15-29-24)22-13-12-21(26(30-22)34-18(3)9-10-19(34)4)27(35)32-38(36,37)25-8-6-7-23(28)31-25/h6-8,11-15,17-19H,9-10,16H2,1-5H3,(H2,28,31)(H,32,35)/t18-,19+.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 537.69 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 121252522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).