N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C25H30N6O4S — CID 121250612

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1
InChIInChI=1S/C25H30N6O4S/c1-16(2)35-22-12-9-18(14-27-22)20-11-10-19(24(28-20)31-13-5-6-17(3)15-31)25(32)30-36(33,34)23-8-4-7-21(26)29-23/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H2,26,29)(H,30,32)
InChIKeyIUNBSQGJSDRWOV-UHFFFAOYSA-N
MW510.62 g/mol
LogP3.26
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121250612) has the molecular formula C25H30N6O4S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121250612
Molecular FormulaC25H30N6O4S
Molecular Weight510.62 g/mol
Exact Mass510.20
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC1CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1
InChIInChI=1S/C25H30N6O4S/c1-16(2)35-22-12-9-18(14-27-22)20-11-10-19(24(28-20)31-13-5-6-17(3)15-31)25(32)30-36(33,34)23-8-4-7-21(26)29-23/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H2,26,29)(H,30,32)
InChIKeyIUNBSQGJSDRWOV-UHFFFAOYSA-N
XLogP3.26
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121250612) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CC1CCCN(c2nc(-c3ccc(OC(C)C)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is IUNBSQGJSDRWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4S/c1-16(2)35-22-12-9-18(14-27-22)20-11-10-19(24(28-20)31-13-5-6-17(3)15-31)25(32)30-36(33,34)23-8-4-7-21(26)29-23/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H2,26,29)(H,30,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 3.26, 7 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-(3-methylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).