N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide

C24H32N4O — CID 170243435

IUPACN-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C)c1C
InChIInChI=1S/C24H32N4O/c1-5-28(24(29)19-6-7-19)22-15-21(14-17(2)18(22)3)20-8-9-23(25-16-20)27-12-10-26(4)11-13-27/h8-9,14-16,19H,5-7,10-13H2,1-4H3
InChIKeyIVRTUIBUMFKSOL-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.88
Rot. Bonds5

About N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide

N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide (PubChem CID 170243435) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide
PubChem CID170243435
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C)c1C
InChIInChI=1S/C24H32N4O/c1-5-28(24(29)19-6-7-19)22-15-21(14-17(2)18(22)3)20-8-9-23(25-16-20)27-12-10-26(4)11-13-27/h8-9,14-16,19H,5-7,10-13H2,1-4H3
InChIKeyIVRTUIBUMFKSOL-UHFFFAOYSA-N
XLogP3.88
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide (CID 170243435) is N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide is CCN(C(=O)C1CC1)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C)c1C.
What is the InChIKey of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is IVRTUIBUMFKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-5-28(24(29)19-6-7-19)22-15-21(14-17(2)18(22)3)20-8-9-23(25-16-20)27-12-10-26(4)11-13-27/h8-9,14-16,19H,5-7,10-13H2,1-4H3.
What are the key properties of N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide?
N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 170243435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).