N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine

C16H26N4O — CID 75516866

IUPACN-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
SMILESCOCC(Nc1ccc(N2CCN(C)CC2)nc1)C1CC1
InChIInChI=1S/C16H26N4O/c1-19-7-9-20(10-8-19)16-6-5-14(11-17-16)18-15(12-21-2)13-3-4-13/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyDNGBJXUTLYNCSM-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.67
Rot. Bonds6

About N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine

N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine (PubChem CID 75516866) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
PubChem CID75516866
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine
SMILESCOCC(Nc1ccc(N2CCN(C)CC2)nc1)C1CC1
InChIInChI=1S/C16H26N4O/c1-19-7-9-20(10-8-19)16-6-5-14(11-17-16)18-15(12-21-2)13-3-4-13/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3
InChIKeyDNGBJXUTLYNCSM-UHFFFAOYSA-N
XLogP1.67
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine (CID 75516866) is N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine is COCC(Nc1ccc(N2CCN(C)CC2)nc1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is DNGBJXUTLYNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-7-9-20(10-8-19)16-6-5-14(11-17-16)18-15(12-21-2)13-3-4-13/h5-6,11,13,15,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine?
N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 290.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-6-(4-methylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 75516866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).