N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C19H24N4O3S — CID 119515432

IUPACN-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESNc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C19H24N4O3S/c20-18-10-7-16(14-21-18)22-19(24)11-6-15-4-8-17(9-5-15)27(25,26)23-12-2-1-3-13-23/h4-5,7-10,14H,1-3,6,11-13H2,(H2,20,21)(H,22,24)
InChIKeyHHBCEAMNPJFMML-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.41
Rot. Bonds6

About N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 119515432) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID119515432
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESNc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C19H24N4O3S/c20-18-10-7-16(14-21-18)22-19(24)11-6-15-4-8-17(9-5-15)27(25,26)23-12-2-1-3-13-23/h4-5,7-10,14H,1-3,6,11-13H2,(H2,20,21)(H,22,24)
InChIKeyHHBCEAMNPJFMML-UHFFFAOYSA-N
XLogP2.41
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-3-ylpropanamide
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1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
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CID 55771343
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 24684324
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 24660270
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 17473344
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55457643
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 119515432) is N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is HHBCEAMNPJFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-18-10-7-16(14-21-18)22-19(24)11-6-15-4-8-17(9-5-15)27(25,26)23-12-2-1-3-13-23/h4-5,7-10,14H,1-3,6,11-13H2,(H2,20,21)(H,22,24).
What are the key properties of N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 119515432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).