N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide

C19H26N4O4S — CID 154940994

IUPACN-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
SMILESCC1(NC(=O)C2CC2)CCN(c2cccc(S(=O)(=O)NC(=O)C3CC3)n2)CC1
InChIInChI=1S/C19H26N4O4S/c1-19(21-17(24)13-5-6-13)9-11-23(12-10-19)15-3-2-4-16(20-15)28(26,27)22-18(25)14-7-8-14/h2-4,13-14H,5-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyLNYAVVZRURITGB-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.18
Rot. Bonds6

About N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide

N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide (PubChem CID 154940994) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
PubChem CID154940994
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide
SMILESCC1(NC(=O)C2CC2)CCN(c2cccc(S(=O)(=O)NC(=O)C3CC3)n2)CC1
InChIInChI=1S/C19H26N4O4S/c1-19(21-17(24)13-5-6-13)9-11-23(12-10-19)15-3-2-4-16(20-15)28(26,27)22-18(25)14-7-8-14/h2-4,13-14H,5-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyLNYAVVZRURITGB-UHFFFAOYSA-N
XLogP1.18
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide (CID 154940994) is N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide is CC1(NC(=O)C2CC2)CCN(c2cccc(S(=O)(=O)NC(=O)C3CC3)n2)CC1.
What is the InChIKey of N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is LNYAVVZRURITGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-19(21-17(24)13-5-6-13)9-11-23(12-10-19)15-3-2-4-16(20-15)28(26,27)22-18(25)14-7-8-14/h2-4,13-14H,5-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide?
N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 406.51 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(cyclopropanecarbonylsulfamoyl)-2-pyridinyl]-4-methylpiperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154940994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).