N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C27H34N6O4S — CID 121251506

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cnc1OC(C)C
InChIInChI=1S/C27H34N6O4S/c1-16(2)37-26-18(4)12-19(14-30-26)21-10-9-20(24(31-21)33-15-17(3)13-27(33,5)6)25(34)32-38(35,36)22-8-7-11-29-23(22)28/h7-12,14,16-17H,13,15H2,1-6H3,(H2,28,29)(H,32,34)/t17-/m0/s1
InChIKeyNZDPLRNJCGEVIO-KRWDZBQOSA-N
MW538.67 g/mol
LogP3.96
Rot. Bonds7

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251506) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251506
Molecular FormulaC27H34N6O4S
Molecular Weight538.67 g/mol
Exact Mass538.24
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cnc1OC(C)C
InChIInChI=1S/C27H34N6O4S/c1-16(2)37-26-18(4)12-19(14-30-26)21-10-9-20(24(31-21)33-15-17(3)13-27(33,5)6)25(34)32-38(35,36)22-8-7-11-29-23(22)28/h7-12,14,16-17H,13,15H2,1-6H3,(H2,28,29)(H,32,34)/t17-/m0/s1
InChIKeyNZDPLRNJCGEVIO-KRWDZBQOSA-N
XLogP3.96
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251506) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cnc1OC(C)C.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is NZDPLRNJCGEVIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-16(2)37-26-18(4)12-19(14-30-26)21-10-9-20(24(31-21)33-15-17(3)13-27(33,5)6)25(34)32-38(35,36)22-8-7-11-29-23(22)28/h7-12,14,16-17H,13,15H2,1-6H3,(H2,28,29)(H,32,34)/t17-/m0/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).