(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide

C15H20Cl2N4O — CID 94146394

IUPAC(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)nc2)CC1
InChIInChI=1S/C15H20Cl2N4O/c1-14(10-15(14,16)17)13(22)19-12-4-3-11(9-18-12)21-7-5-20(2)6-8-21/h3-4,9H,5-8,10H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyDWIZOUBRWSPWQI-AWEZNQCLSA-N
MW343.26 g/mol
LogP2.36
Rot. Bonds3

About (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide

(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 94146394) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID94146394
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)nc2)CC1
InChIInChI=1S/C15H20Cl2N4O/c1-14(10-15(14,16)17)13(22)19-12-4-3-11(9-18-12)21-7-5-20(2)6-8-21/h3-4,9H,5-8,10H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyDWIZOUBRWSPWQI-AWEZNQCLSA-N
XLogP2.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 94146394) is (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide is CN1CCN(c2ccc(NC(=O)[C@]3(C)CC3(Cl)Cl)nc2)CC1.
What is the InChIKey of (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is DWIZOUBRWSPWQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20Cl2N4O/c1-14(10-15(14,16)17)13(22)19-12-4-3-11(9-18-12)21-7-5-20(2)6-8-21/h3-4,9H,5-8,10H2,1-2H3,(H,18,19,22)/t14-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 343.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-1-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94146394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).