N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide

C24H32N4OS — CID 122526551

IUPACN-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide
SMILESCCc1cc(N2CCN(C)CC2)cc(CC)c1Sc1cncc(NC(=O)C2CC2)c1
InChIInChI=1S/C24H32N4OS/c1-4-17-12-21(28-10-8-27(3)9-11-28)13-18(5-2)23(17)30-22-14-20(15-25-16-22)26-24(29)19-6-7-19/h12-16,19H,4-11H2,1-3H3,(H,26,29)
InChIKeyKDDZDOIFWXDOOB-UHFFFAOYSA-N
MW424.61 g/mol
LogP4.46
Rot. Bonds7

About N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide

N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 122526551) has the molecular formula C24H32N4OS and a molecular weight of 424.61 g/mol. Its IUPAC name is N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide
PubChem CID122526551
Molecular FormulaC24H32N4OS
Molecular Weight424.61 g/mol
Exact Mass424.23
IUPAC NameN-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide
SMILESCCc1cc(N2CCN(C)CC2)cc(CC)c1Sc1cncc(NC(=O)C2CC2)c1
InChIInChI=1S/C24H32N4OS/c1-4-17-12-21(28-10-8-27(3)9-11-28)13-18(5-2)23(17)30-22-14-20(15-25-16-22)26-24(29)19-6-7-19/h12-16,19H,4-11H2,1-3H3,(H,26,29)
InChIKeyKDDZDOIFWXDOOB-UHFFFAOYSA-N
XLogP4.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide (CID 122526551) is N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide is CCc1cc(N2CCN(C)CC2)cc(CC)c1Sc1cncc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is KDDZDOIFWXDOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4OS/c1-4-17-12-21(28-10-8-27(3)9-11-28)13-18(5-2)23(17)30-22-14-20(15-25-16-22)26-24(29)19-6-7-19/h12-16,19H,4-11H2,1-3H3,(H,26,29).
What are the key properties of N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide?
N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 424.61 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,6-diethyl-4-(4-methylpiperazin-1-yl)phenyl]sulfanyl-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 122526551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).