N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C20H22N4O3S — CID 66613705

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2[nH]1
InChIInChI=1S/C20H22N4O3S/c25-20(18-12-16-8-9-21-14-19(16)23-18)22-13-15-4-6-17(7-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14,23H,1-3,10-11,13H2,(H,22,25)
InChIKeyYQLQLHWTRSVIQZ-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.67
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 66613705) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID66613705
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2[nH]1
InChIInChI=1S/C20H22N4O3S/c25-20(18-12-16-8-9-21-14-19(16)23-18)22-13-15-4-6-17(7-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14,23H,1-3,10-11,13H2,(H,22,25)
InChIKeyYQLQLHWTRSVIQZ-UHFFFAOYSA-N
XLogP2.67
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951576
N-(6-carbamoyl-3-pyridinyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 44143526
Indole-based 6-membered lactam, 3a
CID 44143543
N-(4-(Phenylsulfonyl)benzyl)-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66609622
N-[4-(Piperidin-1-Ylsulfonyl)benzyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxamide
CID 66610019
Indole-based 6-membered lactam, 1
CID 44143542
N-[(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-5-methyl-1H-indole-2-carboxamide
CID 156018364
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 507783
4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
CID 10238677
4-(1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
CID 10288169
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 42606576
4-(1,3-diethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)-N-(2-(pyridin-2-yl)ethyl)benzenesulfonamide
CID 44413096

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 66613705) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccncc2[nH]1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YQLQLHWTRSVIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(18-12-16-8-9-21-14-19(16)23-18)22-13-15-4-6-17(7-5-15)28(26,27)24-10-2-1-3-11-24/h4-9,12,14,23H,1-3,10-11,13H2,(H,22,25).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66613705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).