N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C23H29N5O3S — CID 118193597

IUPACN-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCN(C3CCC3)CC2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C23H29N5O3S/c29-23(28-15-17-6-9-24-12-18(17)16-28)26-13-19-4-5-22(14-25-19)32(30,31)21-7-10-27(11-8-21)20-2-1-3-20/h4-6,9,12,14,20-21H,1-3,7-8,10-11,13,15-16H2,(H,26,29)
InChIKeyUSTHSRRNQNZCBY-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.49
Rot. Bonds5

About N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118193597) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118193597
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC NameN-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCN(C3CCC3)CC2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C23H29N5O3S/c29-23(28-15-17-6-9-24-12-18(17)16-28)26-13-19-4-5-22(14-25-19)32(30,31)21-7-10-27(11-8-21)20-2-1-3-20/h4-6,9,12,14,20-21H,1-3,7-8,10-11,13,15-16H2,(H,26,29)
InChIKeyUSTHSRRNQNZCBY-UHFFFAOYSA-N
XLogP2.49
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118193597) is N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)C2CCN(C3CCC3)CC2)cn1)N1Cc2ccncc2C1.
What is the InChIKey of N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is USTHSRRNQNZCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c29-23(28-15-17-6-9-24-12-18(17)16-28)26-13-19-4-5-22(14-25-19)32(30,31)21-7-10-27(11-8-21)20-2-1-3-20/h4-6,9,12,14,20-21H,1-3,7-8,10-11,13,15-16H2,(H,26,29).
What are the key properties of N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-cyclobutylpiperidin-4-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).