N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C20H19N5O3S — CID 71727932

IUPACN-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESNc1ccc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1
InChIInChI=1S/C20H19N5O3S/c21-19-6-5-18(11-23-19)29(27,28)17-3-1-14(2-4-17)9-24-20(26)25-12-15-7-8-22-10-16(15)13-25/h1-8,10-11H,9,12-13H2,(H2,21,23)(H,24,26)
InChIKeyNMNMXZAMLXAEMU-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.12
Rot. Bonds4

About N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 71727932) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID71727932
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESNc1ccc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1
InChIInChI=1S/C20H19N5O3S/c21-19-6-5-18(11-23-19)29(27,28)17-3-1-14(2-4-17)9-24-20(26)25-12-15-7-8-22-10-16(15)13-25/h1-8,10-11H,9,12-13H2,(H2,21,23)(H,24,26)
InChIKeyNMNMXZAMLXAEMU-UHFFFAOYSA-N
XLogP2.12
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 71727932) is N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is Nc1ccc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1.
What is the InChIKey of N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is NMNMXZAMLXAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c21-19-6-5-18(11-23-19)29(27,28)17-3-1-14(2-4-17)9-24-20(26)25-12-15-7-8-22-10-16(15)13-25/h1-8,10-11H,9,12-13H2,(H2,21,23)(H,24,26).
What are the key properties of N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 71727932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).