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

C23H30N6O3S — CID 90011953

IUPACN-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C23H30N6O3S/c30-23(28-16-18-5-8-24-13-19(18)17-28)26-14-20-3-4-22(15-25-20)33(31,32)29-11-6-21(7-12-29)27-9-1-2-10-27/h3-5,8,13,15,21H,1-2,6-7,9-12,14,16-17H2,(H,26,30)
InChIKeyYFTKKNWJUWPLLE-UHFFFAOYSA-N
MW470.60 g/mol
LogP1.95
Rot. Bonds5

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

N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 90011953) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID90011953
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC NameN-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C23H30N6O3S/c30-23(28-16-18-5-8-24-13-19(18)17-28)26-14-20-3-4-22(15-25-20)33(31,32)29-11-6-21(7-12-29)27-9-1-2-10-27/h3-5,8,13,15,21H,1-2,6-7,9-12,14,16-17H2,(H,26,30)
InChIKeyYFTKKNWJUWPLLE-UHFFFAOYSA-N
XLogP1.95
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 90011953) is N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cn1)N1Cc2ccncc2C1.
What is the InChIKey of N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is YFTKKNWJUWPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c30-23(28-16-18-5-8-24-13-19(18)17-28)26-14-20-3-4-22(15-25-20)33(31,32)29-11-6-21(7-12-29)27-9-1-2-10-27/h3-5,8,13,15,21H,1-2,6-7,9-12,14,16-17H2,(H,26,30).
What are the key properties of N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 90011953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).